4-[2-(benzotriazol-1-yl)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(benzotriazol-1-yl)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(benzotriazol-1-yl)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(benzotriazol-1-yl)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(benzotriazol-1-yl)acetyl]amino]-3-methyl-benzoic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14N4O3/c1-10-8-11(16(22)23)6-7-12(10)17-15(21)9-20-14-5-3-2-4-13(14)18-19-20/h2-8H,9H2,1H3,(H,17,21)(H,22,23)