[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(2R)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1R)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-17(31-22(27)14-7-18-5-10-21(11-6-18)26(29)30)23(28)24-19-8-12-20(13-9-19)25-15-3-2-4-16-25/h5-14,17H,2-4,15-16H2,1H3,(H,24,28)/b14-7+/t17-/m1/s1