4-methyl-3-[(1-phenyl-1,2,4-triazol-3-yl)carbonylamino]benzoate

Systemtic Name: 4-methyl-3-[(1-phenyl-1,2,4-triazol-3-yl)carbonylamino]benzoate Openeye Name: 4-methyl-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]benzoate CAS Name: 4-methyl-3-[[oxo-(1-phenyl-1,2,4-triazol-3-yl)methyl]amino]benzoate IUPAC Name: 4-methyl-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]benzoate Traditional Name: 4-methyl-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]benzoate Formula: C17H13N4O3- MolecularWeight: 321.31012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3/c1-11-7-8-12(17(23)24)9-14(11)19-16(22)15-18-10-21(20-15)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)(H,23,24)/p-1