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

Systemtic Name: methyl (E)-3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)but-2-enoate Openeye Name: methyl (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)but-2-enoate CAS Name: (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)but-2-enoate Traditional Name: (E)-3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)but-2-enoic acid methyl ester Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c1-9(7-13(17)19-4)10-5-6-12-11(8-10)15(2,3)20-14(18)16-12/h5-8H,1-4H3,(H,16,18)/b9-7+