3-(7-methyl-2-oxidanylidene-1,4-benzoxazin-3-yl)propanoic acid

Systemtic Name: 3-(7-methyl-2-oxidanylidene-1,4-benzoxazin-3-yl)propanoic acid Openeye Name: 3-(7-methyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid CAS Name: 3-(7-methyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid IUPAC Name: 3-(7-methyl-2-oxo-1,4-benzoxazin-3-yl)propanoic acid Traditional Name: 3-(2-keto-7-methyl-1,4-benzoxazin-3-yl)propionic acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=O)O2)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=O)O2)CCC(=O)O

InChI

InChI=1S/C12H11NO4/c1-7-2-3-8-10(6-7)17-12(16)9(13-8)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)