(2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3)Cl

InChI

InChI=1S/C21H16ClN3O4/c1-12-6-7-13-9-14(19(22)23-17(13)8-12)11-29-18(26)10-25-21(28)16-5-3-2-4-15(16)20(27)24-25/h2-9H,10-11H2,1H3,(H,24,27)