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

Systemtic Name: ethyl 3-[(4-nitrophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 3-[(4-nitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-nitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(4-nitrobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O5/c1-2-22-11(19)9-13-12(16-15-9)14-10(18)7-3-5-8(6-4-7)17(20)21/h3-6H,2H2,1H3,(H2,13,14,15,16,18)