[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (2-oxo-2-tetralin-6-yl-ethyl) 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (2-keto-2-tetralin-6-yl-ethyl) ester Formula: C22H23NO7 MolecularWeight: 413.42052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2)OC

InChI

InChI=1S/C22H23NO7/c1-3-29-21-12-18(23(26)27)17(11-20(21)28-2)22(25)30-13-19(24)16-9-8-14-6-4-5-7-15(14)10-16/h8-12H,3-7,13H2,1-2H3