2-[3-(3-methylphenoxy)-4-oxidanylidene-chromen-7-yl]oxyethanenitrile

Systemtic Name: 2-[3-(3-methylphenoxy)-4-oxidanylidene-chromen-7-yl]oxyethanenitrile Openeye Name: 2-[3-(3-methylphenoxy)-4-oxo-chromen-7-yl]oxyacetonitrile CAS Name: 2-[[3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxyacetonitrile Traditional Name: 2-[4-keto-3-(3-methylphenoxy)chromen-7-yl]oxyacetonitrile Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC#N

Isomeric SMILES

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC#N

InChI

InChI=1S/C18H13NO4/c1-12-3-2-4-14(9-12)23-17-11-22-16-10-13(21-8-7-19)5-6-15(16)18(17)20/h2-6,9-11H,8H2,1H3