[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-benzamidohexanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-benzamidohexanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c24-19(17-10-7-11-18(14-17)23(27)28)15-29-20(25)12-5-2-6-13-22-21(26)16-8-3-1-4-9-16/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,22,26)