[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C=CC1=C(C=C(C=C1)C)Br

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)/C=C/C1=C(C=C(C=C1)C)Br

InChI

InChI=1S/C17H21BrN2O4/c1-3-4-9-19-17(23)20-15(21)11-24-16(22)8-7-13-6-5-12(2)10-14(13)18/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,20,21,23)/b8-7+