[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrN3O3/c1-12(2)21-15(9-10-19-21)20-16(22)11-24-17(23)8-5-13-3-6-14(18)7-4-13/h3-10,12H,11H2,1-2H3,(H,20,22)/b8-5+