[2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)NC(=O)CC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)NC(=O)CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c25-19(13-1-6-16-12(9-13)3-8-20(26)23-16)11-30-21(27)14-2-7-17(22-15-4-5-15)18(10-14)24(28)29/h1-2,6-7,9-10,15,22H,3-5,8,11H2,(H,23,26)