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

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-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)OC(C)C(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-]

InChI

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