(3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-21(2,3)18(24)12-29-20(26)15-8-6-5-7-14(15)19(25)13-9-10-16(22-4)17(11-13)23(27)28/h5-11,22H,12H2,1-4H3