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

Systemtic Name: methyl 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3-carboxylate CAS Name: 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3-carboxylate Traditional Name: 1-(2-nitrobenzyl)-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C11H10N4O4 MolecularWeight: 262.2215

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=N1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NN(C=N1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4/c1-19-11(16)10-12-7-14(13-10)6-8-4-2-3-5-9(8)15(17)18/h2-5,7H,6H2,1H3