[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-octoxybenzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-octoxybenzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H27NO6/c1-2-3-4-5-6-7-15-29-21-13-11-18(12-14-21)23(26)30-17-22(25)19-9-8-10-20(16-19)24(27)28/h8-14,16H,2-7,15,17H2,1H3