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

Systemtic Name: 1-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(2-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=CC=C1[N+](=O)[O-])NC(=O)CC2(CCCCC2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-11-12(6-5-7-13(11)18(22)23)17-14(19)10-16(15(20)21)8-3-2-4-9-16/h5-7H,2-4,8-10H2,1H3,(H,17,19)(H,20,21)