[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C19H18BrN3O6 MolecularWeight: 464.26672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C19H18BrN3O6/c20-17-7-5-16(29-17)6-8-19(25)28-13-18(24)22-11-9-21(10-12-22)14-1-3-15(4-2-14)23(26)27/h1-8H,9-13H2/b8-6+