(4-ethanoyl-2-methoxy-6-pentoxy-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-ethanoyl-2-methoxy-6-pentoxy-phenyl) 3,5-dinitrobenzoate Openeye Name: (4-acetyl-2-methoxy-6-pentoxy-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-acetyl-2-methoxy-6-pentoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxy-6-pentoxyphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-acetyl-2-amoxy-6-methoxy-phenyl) ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC)C(=O)C

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC)C(=O)C

InChI

InChI=1S/C21H22N2O9/c1-4-5-6-7-31-19-11-14(13(2)24)10-18(30-3)20(19)32-21(25)15-8-16(22(26)27)12-17(9-15)23(28)29/h8-12H,4-7H2,1-3H3