2-(6,7-dimethoxy-3-nitro-2H-chromen-4-yl)-2-[4-methoxy-2-(methoxymethoxy)phenyl]-2-oxidanyl-ethanenitrile

Systemtic Name: 2-(6,7-dimethoxy-3-nitro-2H-chromen-4-yl)-2-[4-methoxy-2-(methoxymethoxy)phenyl]-2-oxidanyl-ethanenitrile Openeye Name: 2-(6,7-dimethoxy-3-nitro-2H-chromen-4-yl)-2-hydroxy-2-[4-methoxy-2-(methoxymethoxy)phenyl]acetonitrile CAS Name: 2-(6,7-dimethoxy-3-nitro-2H-1-benzopyran-4-yl)-2-hydroxy-2-[4-methoxy-2-(methoxymethoxy)phenyl]acetonitrile IUPAC Name: 2-(6,7-dimethoxy-3-nitro-2H-chromen-4-yl)-2-hydroxy-2-[4-methoxy-2-(methoxymethoxy)phenyl]acetonitrile Traditional Name: 2-(6,7-dimethoxy-3-nitro-2H-chromen-4-yl)-2-hydroxy-2-[4-methoxy-2-(methoxymethoxy)phenyl]acetonitrile Formula: C22H22N2O9 MolecularWeight: 458.41808

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C=CC(=C1)OC)C(C#N)(C2=C(COC3=CC(=C(C=C32)OC)OC)[N+](=O)[O-])O

Isomeric SMILES

COCOC1=C(C=CC(=C1)OC)C(C#N)(C2=C(COC3=CC(=C(C=C32)OC)OC)[N+](=O)[O-])O

InChI

InChI=1S/C22H22N2O9/c1-28-12-33-18-7-13(29-2)5-6-15(18)22(25,11-23)21-14-8-19(30-3)20(31-4)9-17(14)32-10-16(21)24(26)27/h5-9,25H,10,12H2,1-4H3