(3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate CAS Name: 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate Traditional Name: 3-(3,6-diketo-1H-pyridazin-2-yl)propionic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCN3C(=O)C=CC(=O)N3)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCN3C(=O)C=CC(=O)N3)Cl

InChI

InChI=1S/C18H16ClN3O4/c1-11-12-4-2-3-5-13(12)20-14(18(11)19)10-26-17(25)8-9-22-16(24)7-6-15(23)21-22/h2-7H,8-10H2,1H3,(H,21,23)