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

Systemtic Name: ethyl 3-[(3,5-dinitrophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H10N6O7 MolecularWeight: 350.2438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O7/c1-2-25-11(20)9-13-12(16-15-9)14-10(19)6-3-7(17(21)22)5-8(4-6)18(23)24/h3-5H,2H2,1H3,(H2,13,14,15,16,19)