O4-[3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] O1-methyl butanedioate

Systemtic Name: O4-[3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)isochromen-7-yl] O1-methyl butanedioate Openeye Name: O4-[3-(4-cyanophenyl)-7-methyl-6,8-dioxo-isochromen-7-yl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-benzopyran-7-yl] ester O1-methyl ester IUPAC Name: 4-O-[3-(4-cyanophenyl)-7-methyl-6,8-dioxoisochromen-7-yl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[3-(4-cyanophenyl)-6,8-diketo-7-methyl-isochromen-7-yl] ester O1-methyl ester Formula: C22H17NO7 MolecularWeight: 407.37288

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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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO7/c1-22(30-20(26)8-7-19(25)28-2)18(24)10-15-9-17(29-12-16(15)21(22)27)14-5-3-13(11-23)4-6-14/h3-6,9-10,12H,7-8H2,1-2H3