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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCCC(C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCC[C@@H](C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-24-13-5-4-11(7-12(13)18(22)23)16-14(19)9-17-6-2-3-10(8-17)15(20)21/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)(H,20,21)/t10-/m0/s1