HHW

(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid

Created:	2018-12-06
Last modified:	2019-03-20

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1 entries where HHW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of HHW

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Chemical Component Summary
Name	(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid
Formula	C₁₆ H₁₂ Cl N O₃
Molecular Weight	301.724
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)C=CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)\C=C\c1cccc(c1)C(=O)Nc2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O
InChI	InChI	1.03	InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+
InChIKey	InChI	1.03	LCXLBLQWTJEACF-RUDMXATFSA-N

Related Resource References

Resource Name	Reference
PubChem	61528883

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