[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C16H12BrNO5S MolecularWeight: 410.23918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO5S/c1-10-2-3-11(8-13(10)18(21)22)14(19)9-23-16(20)7-5-12-4-6-15(17)24-12/h2-8H,9H2,1H3/b7-5+