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

Systemtic Name: 3-[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl]phthalazine-1-carboxylic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H19N3O5/c1-11-8-9-16(28-3)15(10-11)21-18(24)12(2)23-19(25)14-7-5-4-6-13(14)17(22-23)20(26)27/h4-10,12H,1-3H3,(H,21,24)(H,26,27)