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

Systemtic Name: ethyl 5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-(2-nitrobenzyl)-1H-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=N1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NNC(=N1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4/c1-2-20-12(17)11-13-10(14-15-11)7-8-5-3-4-6-9(8)16(18)19/h3-6H,2,7H2,1H3,(H,13,14,15)