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

Systemtic Name: 4-(2,2-dimethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-isopropyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)-4-oxobutanoate IUPAC Name: 4-(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)-4-oxobutanoate Traditional Name: 4-(4-isopropyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)-4-keto-butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)(C)C

Isomeric SMILES

CC(C)N1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)(C)C

InChI

InChI=1S/C17H21NO5/c1-10(2)18-12-9-11(13(19)6-8-15(20)21)5-7-14(12)23-17(3,4)16(18)22/h5,7,9-10H,6,8H2,1-4H3,(H,20,21)/p-1