4-[6,7-dimethoxy-4-(4-methoxyphenyl)-1-oxidanylidene-isochromen-3-yl]benzenecarbonitrile

Systemtic Name: 4-[6,7-dimethoxy-4-(4-methoxyphenyl)-1-oxidanylidene-isochromen-3-yl]benzenecarbonitrile Openeye Name: 4-[6,7-dimethoxy-4-(4-methoxyphenyl)-1-oxo-isochromen-3-yl]benzonitrile CAS Name: 4-[6,7-dimethoxy-4-(4-methoxyphenyl)-1-oxo-2-benzopyran-3-yl]benzonitrile IUPAC Name: 4-[6,7-dimethoxy-4-(4-methoxyphenyl)-1-oxoisochromen-3-yl]benzonitrile Traditional Name: 4-[1-keto-6,7-dimethoxy-4-(4-methoxyphenyl)isochromen-3-yl]benzonitrile Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H19NO5/c1-28-18-10-8-16(9-11-18)23-19-12-21(29-2)22(30-3)13-20(19)25(27)31-24(23)17-6-4-15(14-26)5-7-17/h4-13H,1-3H3