methyl 5-(2-methoxy-2-oxidanylidene-ethyl)-1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-(2-methoxy-2-oxidanylidene-ethyl)-1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-(2-methoxy-2-oxo-ethyl)-1-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 5-(2-methoxy-2-oxoethyl)-1-(4-nitrophenyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(2-methoxy-2-oxoethyl)-1-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-(2-keto-2-methoxy-ethyl)-1-(4-nitrophenyl)triazole-4-carboxylic acid methyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(N=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

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