4-[6,7-dimethoxy-1-oxidanylidene-4-(5-oxidanylpent-1-ynyl)isochromen-3-yl]benzenecarbonitrile

Systemtic Name: 4-[6,7-dimethoxy-1-oxidanylidene-4-(5-oxidanylpent-1-ynyl)isochromen-3-yl]benzenecarbonitrile Openeye Name: 4-[4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-1-oxo-isochromen-3-yl]benzonitrile CAS Name: 4-[4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-1-oxo-2-benzopyran-3-yl]benzonitrile IUPAC Name: 4-[4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-1-oxoisochromen-3-yl]benzonitrile Traditional Name: 4-[4-(5-hydroxypent-1-ynyl)-1-keto-6,7-dimethoxy-isochromen-3-yl]benzonitrile Formula: C23H19NO5 MolecularWeight: 389.40066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CC=C(C=C3)C#N)C#CCCCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CC=C(C=C3)C#N)C#CCCCO)OC

InChI

InChI=1S/C23H19NO5/c1-27-20-12-18-17(6-4-3-5-11-25)22(16-9-7-15(14-24)8-10-16)29-23(26)19(18)13-21(20)28-2/h7-10,12-13,25H,3,5,11H2,1-2H3