methyl 4-[[5-azanyl-1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-azanyl-1-[(2-methylphenyl)methyl]-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-amino-1-(o-tolylmethyl)triazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-amino-1-[(2-methylphenyl)methyl]-4-triazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-1-[(2-methylphenyl)methyl]triazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-amino-1-(2-methylbenzyl)triazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC)N

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C19H19N5O3/c1-12-5-3-4-6-14(12)11-24-17(20)16(22-23-24)18(25)21-15-9-7-13(8-10-15)19(26)27-2/h3-10H,11,20H2,1-2H3,(H,21,25)