ethyl 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3-nitroanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-(3-nitroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-(3-nitroanilino)ethyl]nipecotic acid ethyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-2-24-16(21)12-5-4-8-18(10-12)11-15(20)17-13-6-3-7-14(9-13)19(22)23/h3,6-7,9,12H,2,4-5,8,10-11H2,1H3,(H,17,20)