4-(2-oxidanylidene-5,7-dipropoxy-chromen-3-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(2-oxidanylidene-5,7-dipropoxy-chromen-3-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(2-oxo-5,7-dipropoxy-chromene-3-carbonyl)benzonitrile CAS Name: 4-[oxo-(2-oxo-5,7-dipropoxy-1-benzopyran-3-yl)methyl]benzonitrile IUPAC Name: 4-(2-oxo-5,7-dipropoxychromene-3-carbonyl)benzonitrile Traditional Name: 4-(2-keto-5,7-dipropoxy-chromene-3-carbonyl)benzonitrile Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=CC=C(C=C3)C#N)OCCC

Isomeric SMILES

CCCOC1=CC(=C2C=C(C(=O)OC2=C1)C(=O)C3=CC=C(C=C3)C#N)OCCC

InChI

InChI=1S/C23H21NO5/c1-3-9-27-17-11-20(28-10-4-2)18-13-19(23(26)29-21(18)12-17)22(25)16-7-5-15(14-24)6-8-16/h5-8,11-13H,3-4,9-10H2,1-2H3