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

Systemtic Name: (3S)-1-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-nitroanilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(4-nitroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4-nitroanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-keto-2-(4-nitroanilino)ethyl]nipecotic acid Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17N3O5/c18-13(9-16-7-1-2-10(8-16)14(19)20)15-11-3-5-12(6-4-11)17(21)22/h3-6,10H,1-2,7-9H2,(H,15,18)(H,19,20)/t10-/m0/s1