1-(2-nitro-4-pyrrol-1-yl-phenyl)sulfonylisoquinoline

Systemtic Name: 1-(2-nitro-4-pyrrol-1-yl-phenyl)sulfonylisoquinoline Openeye Name: 1-(2-nitro-4-pyrrol-1-yl-phenyl)sulfonylisoquinoline CAS Name: 1-[2-nitro-4-(1-pyrrolyl)phenyl]sulfonylisoquinoline IUPAC Name: 1-(2-nitro-4-pyrrol-1-ylphenyl)sulfonylisoquinoline Traditional Name: 1-(2-nitro-4-pyrrol-1-yl-phenyl)sulfonylisoquinoline Formula: C19H13N3O4S MolecularWeight: 379.38922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2S(=O)(=O)C3=C(C=C(C=C3)N4C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2S(=O)(=O)C3=C(C=C(C=C3)N4C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S/c23-22(24)17-13-15(21-11-3-4-12-21)7-8-18(17)27(25,26)19-16-6-2-1-5-14(16)9-10-20-19/h1-13H