1-[(Z)-[2-(2-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(Z)-[2-(2-bromophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(Z)-[2-(2-bromophenyl)-5-oxo-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(Z)-[2-(2-bromophenyl)-5-oxo-4-oxazolylidene]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(Z)-[2-(2-bromophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]isonipecotic acid Formula: C16H15BrN2O4 MolecularWeight: 379.2053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C=C2C(=O)OC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CCC1C(=O)O)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H15BrN2O4/c17-12-4-2-1-3-11(12)14-18-13(16(22)23-14)9-19-7-5-10(6-8-19)15(20)21/h1-4,9-10H,5-8H2,(H,20,21)/b13-9-