(4-pyrrol-1-ylphenyl) 3-nitrobenzoate

Systemtic Name: (4-pyrrol-1-ylphenyl) 3-nitrobenzoate Openeye Name: (4-pyrrol-1-ylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(1-pyrrolyl)phenyl] ester IUPAC Name: (4-pyrrol-1-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-pyrrol-1-ylphenyl) ester Formula: C17H12N2O4 MolecularWeight: 308.28818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4/c20-17(13-4-3-5-15(12-13)19(21)22)23-16-8-6-14(7-9-16)18-10-1-2-11-18/h1-12H