(E)-3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)but-2-enoic acid

Systemtic Name: (E)-3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)but-2-enoic acid Openeye Name: (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)but-2-enoic acid CAS Name: (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-butenoic acid IUPAC Name: (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)but-2-enoic acid Traditional Name: (E)-3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)but-2-enoic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC2=C(C=C1)NC(=O)OC2(C)C

Isomeric SMILES

C/C(=C\C(=O)O)/C1=CC2=C(C=C1)NC(=O)OC2(C)C

InChI

InChI=1S/C14H15NO4/c1-8(6-12(16)17)9-4-5-11-10(7-9)14(2,3)19-13(18)15-11/h4-7H,1-3H3,(H,15,18)(H,16,17)/b8-6+