dimethyl 5-butyl-8-nitro-4-oxidanylidene-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylate

Systemtic Name: dimethyl 5-butyl-8-nitro-4-oxidanylidene-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylate Openeye Name: dimethyl 5-butyl-8-nitro-4-oxo-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylate CAS Name: 5-butyl-8-nitro-4-oxo-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-butyl-8-nitro-4-oxo-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylate Traditional Name: 5-butyl-4-keto-8-nitro-2H-pyrrolo[3,4-c]quinoline-1,3-dicarboxylic acid dimethyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C(NC(=C3C1=O)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C(NC(=C3C1=O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H19N3O7/c1-4-5-8-21-12-7-6-10(22(26)27)9-11(12)13-14(17(21)23)16(19(25)29-3)20-15(13)18(24)28-2/h6-7,9,20H,4-5,8H2,1-3H3