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

Systemtic Name: methyl 3-[(3,5-dinitrophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[(3,5-dinitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,5-dinitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(3,5-dinitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C11H8N6O7 MolecularWeight: 336.21722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N6O7/c1-24-10(19)8-12-11(15-14-8)13-9(18)5-2-6(16(20)21)4-7(3-5)17(22)23/h2-4H,1H3,(H2,12,13,14,15,18)