[2-butanoyloxy-3-nitro-4-(phenylcarbonyl)phenyl] butanoate

Systemtic Name: [2-butanoyloxy-3-nitro-4-(phenylcarbonyl)phenyl] butanoate Openeye Name: (4-benzoyl-2-butanoyloxy-3-nitro-phenyl) butanoate CAS Name: butanoic acid [4-benzoyl-3-nitro-2-(1-oxobutoxy)phenyl] ester IUPAC Name: (4-benzoyl-2-butanoyloxy-3-nitrophenyl) butanoate Traditional Name: butyric acid (4-benzoyl-2-butyryloxy-3-nitro-phenyl) ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)[N+](=O)[O-])OC(=O)CCC

InChI

InChI=1S/C21H21NO7/c1-3-8-17(23)28-16-13-12-15(20(25)14-10-6-5-7-11-14)19(22(26)27)21(16)29-18(24)9-4-2/h5-7,10-13H,3-4,8-9H2,1-2H3