[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6/c1-2-32-17-4-5-18(19(11-17)27(30)31)25-21(28)14-33-22(29)16-7-9-26(10-8-16)20-6-3-15(12-23)13-24-20/h3-6,11,13,16H,2,7-10,14H2,1H3,(H,25,28)