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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H20N2O5 MolecularWeight: 320.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-16(2,3)14(19)9-23-15(20)10-4-7-12(17-11-5-6-11)13(8-10)18(21)22/h4,7-8,11,17H,5-6,9H2,1-3H3