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

Systemtic Name: 4-[[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2,2-dimethyl-4-(2-methylallyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[3-keto-2,2-dimethyl-4-(2-methylallyl)-1,4-benzoxazin-6-yl]amino]butyric acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-11(2)10-20-13-9-12(19-15(21)7-8-16(22)23)5-6-14(13)25-18(3,4)17(20)24/h5-6,9H,1,7-8,10H2,2-4H3,(H,19,21)(H,22,23)