2-[6-chloranyl-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxidanylidene-chromen-3-yl]ethanenitrile

Systemtic Name: 2-[6-chloranyl-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxidanylidene-chromen-3-yl]ethanenitrile Openeye Name: 2-[6-chloro-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-chromen-3-yl]acetonitrile CAS Name: 2-[6-chloro-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1-benzopyran-3-yl]acetonitrile IUPAC Name: 2-[6-chloro-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxochromen-3-yl]acetonitrile Traditional Name: 2-[6-chloro-2-[4-(diethoxyphosphorylmethyl)phenyl]-4-keto-chromen-3-yl]acetonitrile Formula: C22H21ClNO5P MolecularWeight: 445.832601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)CC#N)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)CC#N)OCC

InChI

InChI=1S/C22H21ClNO5P/c1-3-27-30(26,28-4-2)14-15-5-7-16(8-6-15)22-18(11-12-24)21(25)19-13-17(23)9-10-20(19)29-22/h5-10,13H,3-4,11,14H2,1-2H3