2-[(3,4-dimethylphenyl)amino]-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[(3,4-dimethylphenyl)amino]-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3,4-dimethylanilino)-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3,4-dimethylanilino)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3,4-dimethylanilino)-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3,4-dimethylanilino)-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H14N4O6 MolecularWeight: 406.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NN2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NN2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C

InChI

InChI=1S/C20H14N4O6/c1-10-3-4-12(9-11(10)2)21-22-19(25)13-5-7-15(23(27)28)18-16(24(29)30)8-6-14(17(13)18)20(22)26/h3-9,21H,1-2H3