(E)-3-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-isopropoxy-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-isopropoxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(C)C

InChI

InChI=1S/C21H20N2O5/c1-4-27-20-11-15(8-9-19(20)28-14(2)3)10-17(13-22)21(24)16-6-5-7-18(12-16)23(25)26/h5-12,14H,4H2,1-3H3/b17-10+