4-[(E)-[2-(2-methylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(E)-[2-(2-methylphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(E)-[2-(o-tolyl)-5-oxo-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid CAS Name: 4-[(E)-[2-(2-methylphenyl)-5-oxo-4-oxazolylidene]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(E)-[2-(2-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[(E)-[5-keto-2-(o-tolyl)-2-oxazolin-4-ylidene]methyl]piperazine-1-carboxylic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=CN3CCN(CC3)C(=O)O)C(=O)O2

Isomeric SMILES

CC1=CC=CC=C1C2=N/C(=C/N3CCN(CC3)C(=O)O)/C(=O)O2

InChI

InChI=1S/C16H17N3O4/c1-11-4-2-3-5-12(11)14-17-13(15(20)23-14)10-18-6-8-19(9-7-18)16(21)22/h2-5,10H,6-9H2,1H3,(H,21,22)/b13-10+