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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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