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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c26-21(24-13-11-23(12-14-24)16-19-5-2-1-3-6-19)17-30-22(27)10-9-18-7-4-8-20(15-18)25(28)29/h1-10,15H,11-14,16-17H2/b10-9+