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

Systemtic Name: methyl 4-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[(5-amino-1-benzyl-triazole-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-amino-1-(phenylmethyl)-4-triazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-amino-1-benzyltriazole-4-carbonyl)amino]benzoate Traditional Name: 4-[(5-amino-1-benzyl-triazole-4-carbonyl)amino]benzoic acid methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC=CC=C3)N

InChI

InChI=1S/C18H17N5O3/c1-26-18(25)13-7-9-14(10-8-13)20-17(24)15-16(19)23(22-21-15)11-12-5-3-2-4-6-12/h2-10H,11,19H2,1H3,(H,20,24)