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

Systemtic Name: 6-[(3-chlorophenyl)amino]-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(3-chloroanilino)-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(3-chloroanilino)-2-(2-hydroxyethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(3-chloroanilino)-2-(2-hydroxyethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(3-chloroanilino)-2-(2-hydroxyethyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H14ClN3O5 MolecularWeight: 411.79526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=C(C=C3C4=C2C=CC=C4C(=O)N(C3=O)CCO)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O5/c21-11-3-1-4-12(9-11)22-18-13-5-2-6-14-17(13)15(10-16(18)24(28)29)20(27)23(7-8-25)19(14)26/h1-6,9-10,22,25H,7-8H2