2-[3-(aminomethyl)-5-methyl-2-oxidanyl-phenyl]benzotriazole-5-carboxylic acid

Systemtic Name: 2-[3-(aminomethyl)-5-methyl-2-oxidanyl-phenyl]benzotriazole-5-carboxylic acid Openeye Name: 2-[3-(aminomethyl)-2-hydroxy-5-methyl-phenyl]benzotriazole-5-carboxylic acid CAS Name: 2-[3-(aminomethyl)-2-hydroxy-5-methylphenyl]-5-benzotriazolecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)-2-hydroxy-5-methylphenyl]benzotriazole-5-carboxylic acid Traditional Name: 2-[3-(aminomethyl)-2-hydroxy-5-methyl-phenyl]benzotriazole-5-carboxylic acid Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)C(=O)O)O)CN

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)C(=O)O)O)CN

InChI

InChI=1S/C15H14N4O3/c1-8-4-10(7-16)14(20)13(5-8)19-17-11-3-2-9(15(21)22)6-12(11)18-19/h2-6,20H,7,16H2,1H3,(H,21,22)