3-(6-chloranyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: 3-(6-chloranyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: 3-(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate IUPAC Name: 3-(6-chloro-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(6-chloro-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionate Formula: C13H13ClNO4- MolecularWeight: 282.69962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC(=O)[O-])C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC(=O)[O-])C

InChI

InChI=1S/C13H14ClNO4/c1-13(2)12(18)15(6-5-11(16)17)9-7-8(14)3-4-10(9)19-13/h3-4,7H,5-6H2,1-2H3,(H,16,17)/p-1