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

Systemtic Name: 3-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: 3-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)[O-])(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)[O-])(C)C

InChI

InChI=1S/C17H21NO5/c1-4-5-13(19)11-6-7-14-12(10-11)18(9-8-15(20)21)16(22)17(2,3)23-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21)/p-1