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

Systemtic Name: 1-[2-[(4-methoxy-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-methoxy-3-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-methoxy-3-nitroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-methoxy-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-(4-methoxy-3-nitro-anilino)ethyl]isonipecotic acid Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-24-13-3-2-11(8-12(13)18(22)23)16-14(19)9-17-6-4-10(5-7-17)15(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19)(H,20,21)