3-[(4-methylphthalazin-1-yl)amino]benzoic acid

Systemtic Name: 3-[(4-methylphthalazin-1-yl)amino]benzoic acid Openeye Name: 3-[(4-methylphthalazin-1-yl)amino]benzoic acid CAS Name: 3-[(4-methyl-1-phthalazinyl)amino]benzoic acid IUPAC Name: 3-[(4-methylphthalazin-1-yl)amino]benzoic acid Traditional Name: 3-[(4-methylphthalazin-1-yl)amino]benzoic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2/c1-10-13-7-2-3-8-14(13)15(19-18-10)17-12-6-4-5-11(9-12)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)