[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2C)C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23NO7/c1-6-28-20-9-16(17(22(25)26)10-19(20)27-5)21(24)29-11-18(23)15-8-13(3)12(2)7-14(15)4/h7-10H,6,11H2,1-5H3