[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C18H15BrN2O4/c19-16-8-6-14(25-16)7-9-18(23)24-12-17(22)21-11-10-15(20-21)13-4-2-1-3-5-13/h1-9H,10-12H2/b9-7+