ethyl 4-(8,9-dimethyl-4-nitro-12-oxidanylidene-benzimidazolo[2,3-b]quinazolin-6-yl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(8,9-dimethyl-4-nitro-12-oxidanylidene-benzimidazolo[2,3-b]quinazolin-6-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(8,9-dimethyl-4-nitro-12-oxo-benzimidazolo[2,3-b]quinazolin-6-yl)-3-oxo-butanoate CAS Name: 4-(8,9-dimethyl-4-nitro-12-oxo-6-benzimidazolo[2,3-b]quinazolinyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(8,9-dimethyl-4-nitro-12-oxobenzimidazolo[2,3-b]quinazolin-6-yl)-3-oxobutanoate Traditional Name: 3-keto-4-(12-keto-8,9-dimethyl-4-nitro-benzimidazolo[2,3-b]quinazolin-6-yl)butyric acid ethyl ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CN1C2=C(C=C(C(=C2)C)C)N3C1=NC4=C(C3=O)C=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(=O)CN1C2=C(C=C(C(=C2)C)C)N3C1=NC4=C(C3=O)C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6/c1-4-32-19(28)10-14(27)11-24-17-8-12(2)13(3)9-18(17)25-21(29)15-6-5-7-16(26(30)31)20(15)23-22(24)25/h5-9H,4,10-11H2,1-3H3