[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-4-22-14-10-9-13(11-17(14)25(29)30)19(27)31-12-18(26)24-16-8-6-5-7-15(16)23-20(28)21(24,2)3/h5-11,22H,4,12H2,1-3H3,(H,23,28)