[4-(4-ethanoylpiperazin-1-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-16(25)22-11-13-23(14-12-22)18-6-8-20(9-7-18)29-21(26)10-5-17-3-2-4-19(15-17)24(27)28/h2-10,15H,11-14H2,1H3/b10-5+