(E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylonitrile Formula: C17H12N2O5 MolecularWeight: 324.28758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C(\C#N)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H12N2O5/c1-24-15-9-11(8-14(17(15)21)19(22)23)7-13(10-18)16(20)12-5-3-2-4-6-12/h2-9,21H,1H3/b13-7+