dimethyl 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate Openeye Name: dimethyl 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(2-nitrophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-(2-nitrobenzyl)-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6/c1-22-12(18)10-14-11(13(19)23-2)16(15-10)7-8-5-3-4-6-9(8)17(20)21/h3-6H,7H2,1-2H3