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

Systemtic Name: (3S)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(3-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(12-11-16-6-4-10-19(14-16)24(27)28)23-13-5-7-17(15-23)21(26)22-18-8-2-1-3-9-18/h1-4,6,8-12,14,17H,5,7,13,15H2,(H,22,26)/b12-11+/t17-/m0/s1