[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-21(2,3)20(26)22-15-8-5-13(6-9-15)17(24)12-30-19(25)14-7-10-18(29-4)16(11-14)23(27)28/h5-11H,12H2,1-4H3,(H,22,26)