butyl (E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: butyl (E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-prop-2-enoate Openeye Name: butyl (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-cyano-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-(4-bromo-3-nitrophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-acrylic acid butyl ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC(=C(C=C1)Br)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CC(=C(C=C1)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C14H13BrN2O4/c1-2-3-6-21-14(18)11(9-16)7-10-4-5-12(15)13(8-10)17(19)20/h4-5,7-8H,2-3,6H2,1H3/b11-7+