prop-2-enyl (E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylic acid allyl ester Formula: C14H12N2O6 MolecularWeight: 304.25488

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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6/c1-3-4-22-14(18)10(8-15)5-9-6-11(16(19)20)13(17)12(7-9)21-2/h3,5-7,17H,1,4H2,2H3/b10-5+