3-[(2-methoxy-5-methyl-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-methoxy-5-methyl-phenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2-methoxy-5-methylphenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-methoxy-5-methylphenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(2-methoxy-5-methyl-benzyl)phthalazine-1-carboxylic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H16N2O4/c1-11-7-8-15(24-2)12(9-11)10-20-17(21)14-6-4-3-5-13(14)16(19-20)18(22)23/h3-9H,10H2,1-2H3,(H,22,23)