5-(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxypentanenitrile

Systemtic Name: 5-(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl)oxypentanenitrile Openeye Name: 5-(2-methyl-4-oxo-3-phenyl-chromen-7-yl)oxypentanenitrile CAS Name: 5-[(2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl)oxy]pentanenitrile IUPAC Name: 5-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypentanenitrile Traditional Name: 5-(4-keto-2-methyl-3-phenyl-chromen-7-yl)oxyvaleronitrile Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO3/c1-15-20(16-8-4-2-5-9-16)21(23)18-11-10-17(14-19(18)25-15)24-13-7-3-6-12-22/h2,4-5,8-11,14H,3,6-7,13H2,1H3