1-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]cycloheptanecarboxylic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCCC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-12-6-7-13(10-14(12)19(23)24)18-15(20)11-17(16(21)22)8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,20)(H,21,22)