(3S)-1-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(2-nitrophenyl)acryloyl]-N-phenyl-nipecotamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c25-20(13-12-16-7-4-5-11-19(16)24(27)28)23-14-6-8-17(15-23)21(26)22-18-9-2-1-3-10-18/h1-5,7,9-13,17H,6,8,14-15H2,(H,22,26)/b13-12+/t17-/m0/s1