[3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] furan-2-carboxylate

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] furan-2-carboxylate Openeye Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-(4-cyanophenyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester Formula: C22H13NO6 MolecularWeight: 387.34172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)C4=CC=CO4

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CC=C(C=C3)C#N)OC(=O)C4=CC=CO4

InChI

InChI=1S/C22H13NO6/c1-22(29-21(26)17-3-2-8-27-17)19(24)10-15-9-18(28-12-16(15)20(22)25)14-6-4-13(11-23)5-7-14/h2-10,12H,1H3