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

Systemtic Name: (2-pyrrol-1-ylphenyl) 4-nitrobenzoate Openeye Name: (2-pyrrol-1-ylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(1-pyrrolyl)phenyl] ester IUPAC Name: (2-pyrrol-1-ylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-pyrrol-1-ylphenyl) ester Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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