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

Systemtic Name: 6-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-5-nitro-2-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(4-bromo-2,3-dimethyl-anilino)-2-(3-hydroxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(4-bromo-2,3-dimethylanilino)-2-(3-hydroxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(4-bromo-2,3-dimethylanilino)-2-(3-hydroxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(4-bromo-2,3-dimethyl-anilino)-2-(3-hydroxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C23H20BrN3O5 MolecularWeight: 498.326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCCO)[N+](=O)[O-]

InChI

InChI=1S/C23H20BrN3O5/c1-12-13(2)18(8-7-17(12)24)25-21-14-5-3-6-15-20(14)16(11-19(21)27(31)32)23(30)26(22(15)29)9-4-10-28/h3,5-8,11,25,28H,4,9-10H2,1-2H3