(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3)Cl

InChI

InChI=1S/C22H17ClN2O5/c1-13-8-20-16(10-17(13)23)14(9-22(28)30-20)12-29-21(27)6-7-25-18-5-3-2-4-15(18)19(26)11-24-25/h2-5,8-11H,6-7,12H2,1H3