3-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: 3-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate IUPAC Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-6-methyl-1,4-benzoxazin-4-yl)propionate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCC(=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-8-2-3-10-9(6-8)13(5-4-12(15)16)11(14)7-17-10/h2-3,6H,4-5,7H2,1H3,(H,15,16)/p-1