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

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-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-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C21H20BrN3O5 MolecularWeight: 474.3046

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O5/c22-17-3-1-2-16(14-17)4-9-21(27)30-15-20(26)24-12-10-23(11-13-24)18-5-7-19(8-6-18)25(28)29/h1-9,14H,10-13,15H2/b9-4+