(4-benzamidophenyl) 4-nitro-1H-pyrrole-2-carboxylate

Systemtic Name: (4-benzamidophenyl) 4-nitro-1H-pyrrole-2-carboxylate Openeye Name: (4-benzamidophenyl) 4-nitro-1H-pyrrole-2-carboxylate CAS Name: 4-nitro-1H-pyrrole-2-carboxylic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 4-nitro-1H-pyrrole-2-carboxylate Traditional Name: 4-nitro-1H-pyrrole-2-carboxylic acid (4-benzamidophenyl) ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC(=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC(=CN3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c22-17(12-4-2-1-3-5-12)20-13-6-8-15(9-7-13)26-18(23)16-10-14(11-19-16)21(24)25/h1-11,19H,(H,20,22)