6-bromanyl-2-[(3,4-dimethylphenyl)amino]-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-bromanyl-2-[(3,4-dimethylphenyl)amino]-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-bromo-2-(3,4-dimethylanilino)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-bromo-2-(3,4-dimethylanilino)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-bromo-2-(3,4-dimethylanilino)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-bromo-2-(3,4-dimethylanilino)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H14BrN3O4 MolecularWeight: 440.24686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NN2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)[N+](=O)[O-])C2=O)C

InChI

InChI=1S/C20H14BrN3O4/c1-10-6-7-12(8-11(10)2)22-23-19(25)14-5-3-4-13-17(14)15(20(23)26)9-16(18(13)21)24(27)28/h3-9,22H,1-2H3