3-methyl-4-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-3-methyl-benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H19N3O4/c1-3-10-23-19(25)15-7-5-4-6-14(15)17(22-23)18(24)21-16-9-8-13(20(26)27)11-12(16)2/h4-9,11H,3,10H2,1-2H3,(H,21,24)(H,26,27)