[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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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(O3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-15(29-20(25)12-10-18-9-11-19(30-18)24(27)28)21(26)22-16-5-7-17(8-6-16)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,26)/b12-10+/t15-/m0/s1