TZH

(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate

Created:	2021-01-14
Last modified:	2021-06-09

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Chemical Details
Formal Charge	1
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of TZH

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Chemical Component Summary
Name	(5-methyl-2-nitro-phenyl) cyclobutanecarboxylate
Systematic Name (OpenEye OEToolkits)	(2-cyclobutylcarbonyloxy-4-methyl-phenyl)-oxidanyl-oxidanylidene-azanium
Formula	C₁₂ H₁₄ N O₄
Molecular Weight	236.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O
Canonical SMILES	CACTVS	3.385	Cc1ccc(c(OC(=O)C2CCC2)c1)[N+](O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)OC(=O)C2CCC2)[N+](=O)O
InChI	InChI	1.03	InChI=1S/C12H14NO4/c1-8-5-6-10(13(15)16)11(7-8)17-12(14)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,15,16)/q+1
InChIKey	InChI	1.03	ZPGMMHOSQRVFJE-UHFFFAOYSA-N

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