4-(2,2-dimethyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2,2-dimethyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-allyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxo-butanoic acid CAS Name: 4-(2,2-dimethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-4-oxobutanoic acid IUPAC Name: 4-(2,2-dimethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-4-oxobutanoic acid Traditional Name: 4-(4-allyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)-4-keto-butyric acid Formula: C17H19NO5 MolecularWeight: 317.33646

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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)CC=C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CC=C)C

InChI

InChI=1S/C17H19NO5/c1-4-9-18-12-10-11(13(19)6-8-15(20)21)5-7-14(12)23-17(2,3)16(18)22/h4-5,7,10H,1,6,8-9H2,2-3H3,(H,20,21)