[3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] propanoate

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] propanoate Openeye Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] propanoate CAS Name: propanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxoisochromen-7-yl] propanoate Traditional Name: propionic acid [3-(4-cyanophenyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C20H15NO5 MolecularWeight: 349.3368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCC(=O)OC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H15NO5/c1-3-18(23)26-20(2)17(22)9-14-8-16(25-11-15(14)19(20)24)13-6-4-12(10-21)5-7-13/h4-9,11H,3H2,1-2H3