[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC=C(O2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)/C=C/C2=CC=C(O2)Br)C

InChI

InChI=1S/C18H18BrNO4/c1-11-4-7-15(12(2)10-11)20-18(22)13(3)23-17(21)9-6-14-5-8-16(19)24-14/h4-10,13H,1-3H3,(H,20,22)/b9-6+