phenethyl 2-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(E)-3-(4-nitrophenyl)acryloyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C23H23N3O6 MolecularWeight: 437.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O6/c27-21(11-8-18-6-9-19(10-7-18)26(30)31)25-14-13-24-23(29)20(25)16-22(28)32-15-12-17-4-2-1-3-5-17/h1-11,20H,12-16H2,(H,24,29)/b11-8+