[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(=CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(=CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6/c1-2-29-20-9-8-18(14-19(20)24(27)28)22(26)30-15-21(25)23-12-10-17(11-13-23)16-6-4-3-5-7-16/h3-10,14H,2,11-13,15H2,1H3