ethyl 1-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-oxomethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-(1-oxidobenzofurazan-1-ium-5-carbonyl)nipecotic acid ethyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=NO[N+](=C3C=C2)[O-])CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=NO[N+](=C3C=C2)[O-])C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5/c1-2-31-23(29)24(13-6-10-18-8-4-3-5-9-18)14-7-15-26(17-24)22(28)19-11-12-21-20(16-19)25-32-27(21)30/h3-6,8-12,16H,2,7,13-15,17H2,1H3/b10-6+