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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)(C)C

InChI

InChI=1S/C17H21NO5/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/h5,7,10H,4,6,8-9H2,1-3H3,(H,20,21)/p-1