ethyl 6-[2-(5-nitro-2-phenylmethoxy-phenyl)ethyl]-4-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(5-nitro-2-phenylmethoxy-phenyl)ethyl]-4-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(2-benzyloxy-5-nitro-phenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[2-(2-benzoxy-5-nitro-phenyl)ethyl]-4-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=CC1=O)CCC2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNC(=CC1=O)CCC2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6/c1-2-30-23(27)20-14-24-18(13-21(20)26)9-8-17-12-19(25(28)29)10-11-22(17)31-15-16-6-4-3-5-7-16/h3-7,10-14H,2,8-9,15H2,1H3,(H,24,26)