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

Systemtic Name: 4-[2,2-dimethyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(3-hydroxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[4-(3-hydroxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[4-(3-hydroxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[4-(3-hydroxypropyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C17H20NO6- MolecularWeight: 334.3438

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CCCO)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CCCO)C

InChI

InChI=1S/C17H21NO6/c1-17(2)16(23)18(8-3-9-19)12-10-11(4-6-14(12)24-17)13(20)5-7-15(21)22/h4,6,10,19H,3,5,7-9H2,1-2H3,(H,21,22)/p-1