methyl 4-[3-(4-oxidanylidenecinnolin-1-yl)propanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[3-(4-oxidanylidenecinnolin-1-yl)propanoyloxymethyl]benzoate Openeye Name: methyl 4-[3-(4-oxocinnolin-1-yl)propanoyloxymethyl]benzoate CAS Name: 4-[[1-oxo-3-(4-oxo-1-cinnolinyl)propoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-oxocinnolin-1-yl)propanoyloxymethyl]benzoate Traditional Name: 4-[3-(4-ketocinnolin-1-yl)propanoyloxymethyl]benzoic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C20H18N2O5/c1-26-20(25)15-8-6-14(7-9-15)13-27-19(24)10-11-22-17-5-3-2-4-16(17)18(23)12-21-22/h2-9,12H,10-11,13H2,1H3