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

Systemtic Name: 1-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]cyclohexanecarboxylic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2(CCCCC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-11-5-6-12(9-13(11)18(22)23)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)