3-[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-2-(p-anisidino)ethyl]phthalazine-1-carboxylic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H17N3O5/c1-11(17(23)20-12-7-9-13(27-2)10-8-12)22-18(24)15-6-4-3-5-14(15)16(21-22)19(25)26/h3-11H,1-2H3,(H,20,23)(H,25,26)/t11-/m1/s1