7-chloranyl-2-ethyl-4-(oxan-4-yl)-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-chloranyl-2-ethyl-4-(oxan-4-yl)-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-chloro-2-ethyl-3-oxo-4-tetrahydropyran-4-yl-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-chloro-2-ethyl-4-(4-oxanyl)-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-chloro-2-ethyl-4-(oxan-4-yl)-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-chloro-2-ethyl-3-keto-4-tetrahydropyran-4-yl-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)C3CCOCC3

Isomeric SMILES

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)O)C3CCOCC3

InChI

InChI=1S/C17H20ClNO5/c1-2-13-16(20)19(11-5-7-23-8-6-11)15(17(21)22)12-9-10(18)3-4-14(12)24-13/h3-4,9,11,13,15H,2,5-8H2,1H3,(H,21,22)