7-chloranyl-4-cyclobutyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-4-cyclobutyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-4-cyclobutyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-4-cyclobutyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-4-cyclobutyl-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-4-cyclobutyl-2-ethyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)C3CCC3

Isomeric SMILES

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)C3CCC3

InChI

InChI=1S/C16H18ClNO4/c1-2-12-15(19)18(10-4-3-5-10)14(16(20)21)11-8-9(17)6-7-13(11)22-12/h6-8,10,12,14H,2-5H2,1H3,(H,20,21)