3-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(2-chloranyl-7-methoxy-quinolin-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(2-chloro-7-methoxy-3-quinolyl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2-chloro-7-methoxy-3-quinolinyl)methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(2-chloro-7-methoxy-3-quinolyl)methyl]-4-keto-phthalazine-1-carboxylate Formula: C20H13ClN3O4- MolecularWeight: 394.78792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])Cl

InChI

InChI=1S/C20H14ClN3O4/c1-28-13-7-6-11-8-12(18(21)22-16(11)9-13)10-24-19(25)15-5-3-2-4-14(15)17(23-24)20(26)27/h2-9H,10H2,1H3,(H,26,27)/p-1