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

Systemtic Name: [2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (2-oxo-2-tetralin-6-yl-ethyl) 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-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] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-keto-2-tetralin-6-yl-ethyl) ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21NO7/c1-27-19-10-16(17(22(25)26)11-20(19)28-2)21(24)29-12-18(23)15-8-7-13-5-3-4-6-14(13)9-15/h7-11H,3-6,12H2,1-2H3