1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]cyclohexanecarboxylic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2(CCCCC2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H20N2O6/c1-24-13-6-5-11(18(22)23)9-12(13)17-14(19)10-16(15(20)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,19)(H,20,21)