tert-butyl 4-(5-chloranyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-chloranyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-chloro-4-oxo-3,1-benzoxazin-2-yl)piperidine-1-carboxylate CAS Name: 4-(5-chloro-4-oxo-3,1-benzoxazin-2-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-chloro-4-oxo-3,1-benzoxazin-2-yl)piperidine-1-carboxylate Traditional Name: 4-(5-chloro-4-keto-3,1-benzoxazin-2-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=C(C(=CC=C3)Cl)C(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=C(C(=CC=C3)Cl)C(=O)O2

InChI

InChI=1S/C18H21ClN2O4/c1-18(2,3)25-17(23)21-9-7-11(8-10-21)15-20-13-6-4-5-12(19)14(13)16(22)24-15/h4-6,11H,7-10H2,1-3H3