4-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,2-dimethyl-4-(2-methylallyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-keto-2,2-dimethyl-4-(2-methylallyl)-1,4-benzoxazin-6-yl]butyric acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)(C)C

Isomeric SMILES

CC(=C)CN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)(C)C

InChI

InChI=1S/C18H21NO5/c1-11(2)10-19-13-9-12(14(20)6-8-16(21)22)5-7-15(13)24-18(3,4)17(19)23/h5,7,9H,1,6,8,10H2,2-4H3,(H,21,22)