4-[(E)-(2-naphthalen-1-yl-5-oxidanylidene-1,3-oxazol-4-ylidene)methyl]-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-[(E)-(2-naphthalen-1-yl-5-oxidanylidene-1,3-oxazol-4-ylidene)methyl]-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[(E)-[2-(1-naphthyl)-5-oxo-oxazol-4-ylidene]methyl]-1,4-diazepane-1-carboxylic acid CAS Name: 4-[(E)-[2-(1-naphthalenyl)-5-oxo-4-oxazolylidene]methyl]-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[(E)-(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[(E)-[5-keto-2-(1-naphthyl)-2-oxazolin-4-ylidene]methyl]-1,4-diazepane-1-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)C=C2C(=O)OC(=N2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)/C=C/2\C(=O)OC(=N2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H19N3O4/c24-19-17(13-22-9-4-10-23(12-11-22)20(25)26)21-18(27-19)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,13H,4,9-12H2,(H,25,26)/b17-13+