1-[2-[(Z)-[(3-nitrophenyl)-phenyl-methylidene]amino]oxyethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(Z)-[(3-nitrophenyl)-phenyl-methylidene]amino]oxyethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(Z)-[(3-nitrophenyl)-phenyl-methylene]amino]oxyethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(Z)-[(3-nitrophenyl)-phenylmethylidene]amino]oxyethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(Z)-[(3-nitrophenyl)-phenylmethylidene]amino]oxyethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(Z)-[(3-nitrophenyl)-phenyl-methylene]amino]oxyethyl]nipecotic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC(CN(C1)CCO/N=C(/C2=CC=CC=C2)\C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H23N3O5/c25-21(26)18-9-5-11-23(15-18)12-13-29-22-20(16-6-2-1-3-7-16)17-8-4-10-19(14-17)24(27)28/h1-4,6-8,10,14,18H,5,9,11-13,15H2,(H,25,26)/b22-20-