4-(4-butyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(4-butyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-butyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxo-butanoate CAS Name: 4-(4-butyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate IUPAC Name: 4-(4-butyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate Traditional Name: 4-(4-butyl-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:

CCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)(C)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)(C)C

InChI

InChI=1S/C18H23NO5/c1-4-5-10-19-13-11-12(14(20)7-9-16(21)22)6-8-15(13)24-18(2,3)17(19)23/h6,8,11H,4-5,7,9-10H2,1-3H3,(H,21,22)/p-1