(5E)-3-azanyl-2-oxidanylidene-5-phenethylidene-azepane-4-carboxylic acid

Systemtic Name: (5E)-3-azanyl-2-oxidanylidene-5-phenethylidene-azepane-4-carboxylic acid Openeye Name: (5E)-3-amino-2-oxo-5-phenethylidene-azepane-4-carboxylic acid CAS Name: (5E)-3-amino-2-oxo-5-phenethylidene-4-azepanecarboxylic acid IUPAC Name: (5E)-3-amino-2-oxo-5-phenethylideneazepane-4-carboxylic acid Traditional Name: (5E)-3-amino-2-keto-5-phenethylidene-azepane-4-carboxylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(C(C1=CCC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

C\1CNC(=O)C(C(/C1=C/CC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C15H18N2O3/c16-13-12(15(19)20)11(8-9-17-14(13)18)7-6-10-4-2-1-3-5-10/h1-5,7,12-13H,6,8-9,16H2,(H,17,18)(H,19,20)/b11-7+