[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-hexoxybenzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-hexoxybenzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO6/c1-2-3-4-5-14-27-19-12-8-17(9-13-19)21(24)28-15-20(23)16-6-10-18(11-7-16)22(25)26/h6-13H,2-5,14-15H2,1H3