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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H20N2O7 MolecularWeight: 364.3499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C17H20N2O7/c1-17(2,3)14(20)10-25-15(21)5-4-8-18-12-7-6-11(19(23)24)9-13(12)26-16(18)22/h6-7,9H,4-5,8,10H2,1-3H3