ethyl (E)-3-(2-methyl-5-nitro-phenyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(2-methyl-5-nitro-phenyl)prop-2-enoate Openeye Name: ethyl (E)-3-(2-methyl-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(2-methyl-5-nitrophenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-methyl-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-methyl-5-nitro-phenyl)acrylic acid ethyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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