methyl (E)-3-[4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[4-(4-fluorobenzoyl)piperazino]-3-nitro-phenyl]acrylic acid methyl ester Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C/C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN3O5/c1-30-20(26)9-3-15-2-8-18(19(14-15)25(28)29)23-10-12-24(13-11-23)21(27)16-4-6-17(22)7-5-16/h2-9,14H,10-13H2,1H3/b9-3+