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

Systemtic Name: 4-[6,7-dimethoxy-1-oxidanylidene-4-(3-oxidanylprop-1-ynyl)isochromen-3-yl]benzenecarbonitrile Openeye Name: 4-[4-(3-hydroxyprop-1-ynyl)-6,7-dimethoxy-1-oxo-isochromen-3-yl]benzonitrile CAS Name: 4-[4-(3-hydroxyprop-1-ynyl)-6,7-dimethoxy-1-oxo-2-benzopyran-3-yl]benzonitrile IUPAC Name: 4-[4-(3-hydroxyprop-1-ynyl)-6,7-dimethoxy-1-oxoisochromen-3-yl]benzonitrile Traditional Name: 4-[4-(3-hydroxyprop-1-ynyl)-1-keto-6,7-dimethoxy-isochromen-3-yl]benzonitrile Formula: C21H15NO5 MolecularWeight: 361.3475

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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#CCO)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO5/c1-25-18-10-16-15(4-3-9-23)20(14-7-5-13(12-22)6-8-14)27-21(24)17(16)11-19(18)26-2/h5-8,10-11,23H,9H2,1-2H3