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

Systemtic Name: methyl (E)-3-(4-ethyl-2-nitro-phenyl)prop-2-enoate Openeye Name: methyl (E)-3-(4-ethyl-2-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethyl-2-nitrophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-ethyl-2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethyl-2-nitro-phenyl)acrylic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C=CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)/C=C/C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-3-9-4-5-10(6-7-12(14)17-2)11(8-9)13(15)16/h4-8H,3H2,1-2H3/b7-6+