2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(3-keto-4H-1,4-benzoxazin-6-yl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)OCC#N

InChI

InChI=1S/C20H16N2O5/c1-25-19-10-13(3-6-18(19)26-9-8-21)2-5-16(23)14-4-7-17-15(11-14)22-20(24)12-27-17/h2-7,10-11H,9,12H2,1H3,(H,22,24)/b5-2+