(3,3-dimethyl-2-oxidanylidene-butyl) 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-15(2,3)13(18)9-22-14(19)10-6-7-11(16(4)5)12(8-10)17(20)21/h6-8H,9H2,1-5H3