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

Systemtic Name: butyl (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethyl-3-nitrophenyl)-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-(4-ethyl-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)acrylic acid butyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-3-5-8-22-16(19)14(11-17)9-12-6-7-13(4-2)15(10-12)18(20)21/h6-7,9-10H,3-5,8H2,1-2H3/b14-9+