[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21NO7/c1-3-4-11-27-18-10-7-15(12-19(18)26-2)20(23)28-13-17(22)14-5-8-16(9-6-14)21(24)25/h5-10,12H,3-4,11,13H2,1-2H3