3-[2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-[(2-methoxyanilino)-oxomethyl]anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[4-[(2-methoxyphenyl)carbamoyl]anilino]ethyl]phthalazine-1-carboxylic acid Formula: C25H20N4O6 MolecularWeight: 472.4495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C25H20N4O6/c1-35-20-9-5-4-8-19(20)27-23(31)15-10-12-16(13-11-15)26-21(30)14-29-24(32)18-7-3-2-6-17(18)22(28-29)25(33)34/h2-13H,14H2,1H3,(H,26,30)(H,27,31)(H,33,34)