(E)-3-(3-ethoxy-5-methoxy-phenyl)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-5-methoxy-phenyl)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-5-methoxy-phenyl)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-5-methoxyphenyl)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-5-methoxyphenyl)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-5-methoxy-phenyl)-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)acrylonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC)C(=CC#N)C2=CC3=C(C=C2)N(CCO3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC)/C(=C/C#N)/C2=CC3=C(C=C2)N(CCO3)C

InChI

InChI=1S/C21H22N2O3/c1-4-25-18-12-16(11-17(14-18)24-3)19(7-8-22)15-5-6-20-21(13-15)26-10-9-23(20)2/h5-7,11-14H,4,9-10H2,1-3H3/b19-7+