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

Systemtic Name: 6-[(4-bromophenyl)amino]-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(4-bromoanilino)-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(4-bromoanilino)-2-(2-hydroxyethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(4-bromoanilino)-2-(2-hydroxyethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(4-bromoanilino)-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H14BrN3O5 MolecularWeight: 456.24626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NC4=CC=C(C=C4)Br)[N+](=O)[O-])CCO

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2NC4=CC=C(C=C4)Br)[N+](=O)[O-])CCO

InChI

InChI=1S/C20H14BrN3O5/c21-11-4-6-12(7-5-11)22-18-13-2-1-3-14-17(13)15(10-16(18)24(28)29)20(27)23(8-9-25)19(14)26/h1-7,10,22,25H,8-9H2