(4-aminocarbonyl-2-nitro-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O6/c24-22(28)18-7-8-19(20(14-18)26(30)31)15-32-23(29)17-10-12-25(13-11-17)21(27)9-6-16-4-2-1-3-5-16/h1-9,14,17H,10-13,15H2,(H2,24,28)/b9-6+