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

Systemtic Name: dimethyl 1-[1-[(4-ethylphenyl)amino]-1-oxidanylidene-butan-2-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[1-[(4-ethylphenyl)carbamoyl]propyl]triazole-4,5-dicarboxylate CAS Name: 1-[1-(4-ethylanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[1-(4-ethylanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[1-[(4-ethylphenyl)carbamoyl]propyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=C(N=N2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)N2C(=C(N=N2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H22N4O5/c1-5-11-7-9-12(10-8-11)19-16(23)13(6-2)22-15(18(25)27-4)14(20-21-22)17(24)26-3/h7-10,13H,5-6H2,1-4H3,(H,19,23)