dimethyl 1-[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[1-[(2-methoxy-5-methyl-phenyl)carbamoyl]propyl]triazole-4,5-dicarboxylate CAS Name: 1-[1-(2-methoxy-5-methylanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[1-(2-methoxy-5-methylanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[1-[(2-methoxy-5-methyl-phenyl)carbamoyl]propyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C)OC)N2C(=C(N=N2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C)OC)N2C(=C(N=N2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H22N4O6/c1-6-12(16(23)19-11-9-10(2)7-8-13(11)26-3)22-15(18(25)28-5)14(20-21-22)17(24)27-4/h7-9,12H,6H2,1-5H3,(H,19,23)