[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CCC3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CCC3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-3-28-19-11-10-16(12-18(19)23(26)27)21(25)29-13-20(24)22-14(2)8-9-15-6-4-5-7-17(15)22/h4-7,10-12,14H,3,8-9,13H2,1-2H3