tert-butyl 4-(6-chloranyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)piperazine-1-carboxylate CAS Name: 4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-4-keto-3,1-benzoxazin-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=O)O2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=O)O2

InChI

InChI=1S/C17H20ClN3O4/c1-17(2,3)25-16(23)21-8-6-20(7-9-21)15-19-13-5-4-11(18)10-12(13)14(22)24-15/h4-5,10H,6-9H2,1-3H3