4-[2,2-dimethyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2,2-dimethyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-(4-isobutyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxo-butanoate CAS Name: 4-[2,2-dimethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[2,2-dimethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-(4-isobutyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)-4-keto-butyrate Formula: C18H22NO5- MolecularWeight: 332.37098

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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/C18H23NO5/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/h5,7,9,11H,6,8,10H2,1-4H3,(H,21,22)/p-1