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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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