(4-nitrophenyl) 1,2,4-triazole-1-carboxylate

Systemtic Name: (4-nitrophenyl) 1,2,4-triazole-1-carboxylate Openeye Name: (4-nitrophenyl) 1,2,4-triazole-1-carboxylate CAS Name: 1,2,4-triazole-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 1,2,4-triazole-1-carboxylate Traditional Name: 1,2,4-triazole-1-carboxylic acid (4-nitrophenyl) ester Formula: C9H6N4O4 MolecularWeight: 234.16834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)N2C=NC=N2

InChI

InChI=1S/C9H6N4O4/c14-9(12-6-10-5-11-12)17-8-3-1-7(2-4-8)13(15)16/h1-6H