ethyl 1-[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-2-acetamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-2-acetamido-3-(3-nitrophenyl)acryloyl]isonipecotic acid ethyl ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C

InChI

InChI=1S/C19H23N3O6/c1-3-28-19(25)15-7-9-21(10-8-15)18(24)17(20-13(2)23)12-14-5-4-6-16(11-14)22(26)27/h4-6,11-12,15H,3,7-10H2,1-2H3,(H,20,23)/b17-12+