4-(2-chlorophenyl)-9-nitro-6-(3-oxidanylpropyl)pyrrolo[3,4-c]carbazole-1,3-dione

Systemtic Name: 4-(2-chlorophenyl)-9-nitro-6-(3-oxidanylpropyl)pyrrolo[3,4-c]carbazole-1,3-dione Openeye Name: 4-(2-chlorophenyl)-6-(3-hydroxypropyl)-9-nitro-pyrrolo[3,4-c]carbazole-1,3-dione CAS Name: 4-(2-chlorophenyl)-6-(3-hydroxypropyl)-9-nitropyrrolo[3,4-c]carbazole-1,3-dione IUPAC Name: 4-(2-chlorophenyl)-6-(3-hydroxypropyl)-9-nitropyrrolo[3,4-c]carbazole-1,3-dione Traditional Name: 4-(2-chlorophenyl)-6-(3-hydroxypropyl)-9-nitro-pyrrolo[3,4-c]carbazole-1,3-quinone Formula: C23H16ClN3O5 MolecularWeight: 449.84324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3CCCO)C=CC(=C4)[N+](=O)[O-])C5=C2C(=O)NC5=O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C4=C(N3CCCO)C=CC(=C4)[N+](=O)[O-])C5=C2C(=O)NC5=O)Cl

InChI

InChI=1S/C23H16ClN3O5/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(27(31)32)6-7-17(15)26(18)8-3-9-28/h1-2,4-7,10-11,28H,3,8-9H2,(H,25,29,30)