5-[[5-methyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[5-methyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(1-benzyl-5-methyl-triazole-4-carbonyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[5-methyl-1-(phenylmethyl)-4-triazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(1-benzyl-5-methyltriazole-4-carbonyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(1-benzyl-5-methyl-triazole-4-carbonyl)amino]isophthalic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=NN1CC2=CC=CC=C2)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H16N4O5/c1-11-16(21-22-23(11)10-12-5-3-2-4-6-12)17(24)20-15-8-13(18(25)26)7-14(9-15)19(27)28/h2-9H,10H2,1H3,(H,20,24)(H,25,26)(H,27,28)