[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-12(2)19(24)21-14-6-4-13(5-7-14)17(23)11-29-20(25)16-10-15(22(26)27)8-9-18(16)28-3/h4-10,12H,11H2,1-3H3,(H,21,24)