(4-nitrophenyl) 3-benzamido-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: (4-nitrophenyl) 3-benzamido-1H-1,2,4-triazole-5-carboxylate Openeye Name: (4-nitrophenyl) 3-benzamido-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-benzamido-1H-1,2,4-triazole-5-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-benzamido-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-benzamido-1H-1,2,4-triazole-5-carboxylic acid (4-nitrophenyl) ester Formula: C16H11N5O5 MolecularWeight: 353.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5/c22-14(10-4-2-1-3-5-10)18-16-17-13(19-20-16)15(23)26-12-8-6-11(7-9-12)21(24)25/h1-9H,(H2,17,18,19,20,22)