methyl 1-[(2,4-dinitrophenyl)amino]-5-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(2,4-dinitrophenyl)amino]-5-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(2,4-dinitroanilino)-5-(2-methoxy-2-oxo-ethyl)triazole-4-carboxylate CAS Name: 1-(2,4-dinitroanilino)-5-(2-methoxy-2-oxoethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,4-dinitroanilino)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate Traditional Name: 1-(2,4-dinitroanilino)-5-(2-keto-2-methoxy-ethyl)triazole-4-carboxylic acid methyl ester Formula: C13H12N6O8 MolecularWeight: 380.26978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N=NN1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(N=NN1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H12N6O8/c1-26-11(20)6-10-12(13(21)27-2)14-16-17(10)15-8-4-3-7(18(22)23)5-9(8)19(24)25/h3-5,15H,6H2,1-2H3