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

Systemtic Name: ethyl 1-[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-(3-nitroanilino)-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-nitroanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-1-methyl-2-(3-nitroanilino)ethyl]nipecotic acid ethyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-3-25-17(22)13-6-5-9-19(11-13)12(2)16(21)18-14-7-4-8-15(10-14)20(23)24/h4,7-8,10,12-13H,3,5-6,9,11H2,1-2H3,(H,18,21)