methyl 3-[(3-nitrophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[(3-nitrophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[(3-nitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3-nitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(3-nitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C11H9N5O5 MolecularWeight: 291.21966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O5/c1-21-10(18)8-12-11(15-14-8)13-9(17)6-3-2-4-7(5-6)16(19)20/h2-5H,1H3,(H2,12,13,14,15,17)