N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-N-methyl-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H24ClN3O4/c1-25(16-19-15-20(27(30)31)8-9-21(19)24)23(29)18-11-13-26(14-12-18)22(28)10-7-17-5-3-2-4-6-17/h2-10,15,18H,11-14,16H2,1H3/b10-7+