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

Systemtic Name: 6-[(2-bromanyl-4,5-dimethyl-phenyl)amino]-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(2-bromo-4,5-dimethyl-anilino)-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(2-bromo-4,5-dimethylanilino)-2-(2-hydroxyethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(2-bromo-4,5-dimethylanilino)-2-(2-hydroxyethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(2-bromo-4,5-dimethyl-anilino)-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H18BrN3O5 MolecularWeight: 484.29942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O5/c1-11-8-16(23)17(9-12(11)2)24-20-13-4-3-5-14-19(13)15(10-18(20)26(30)31)22(29)25(6-7-27)21(14)28/h3-5,8-10,24,27H,6-7H2,1-2H3