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

Systemtic Name: [2-butanoyloxy-3-nitro-4-(3-phenylpropanoyl)phenyl] butanoate Openeye Name: [2-butanoyloxy-3-nitro-4-(3-phenylpropanoyl)phenyl] butanoate CAS Name: butanoic acid [3-nitro-2-(1-oxobutoxy)-4-(1-oxo-3-phenylpropyl)phenyl] ester IUPAC Name: [2-butanoyloxy-3-nitro-4-(3-phenylpropanoyl)phenyl] butanoate Traditional Name: butyric acid (2-butyryloxy-4-hydrocinnamoyl-3-nitro-phenyl) ester Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=C(C=C1)C(=O)CCC2=CC=CC=C2)[N+](=O)[O-])OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=C(C(=C(C=C1)C(=O)CCC2=CC=CC=C2)[N+](=O)[O-])OC(=O)CCC

InChI

InChI=1S/C23H25NO7/c1-3-8-20(26)30-19-15-13-17(18(25)14-12-16-10-6-5-7-11-16)22(24(28)29)23(19)31-21(27)9-4-2/h5-7,10-11,13,15H,3-4,8-9,12,14H2,1-2H3