(4-butoxy-2,3-dinitro-phenyl) 3-cyano-4-hexoxy-benzoate

Systemtic Name: (4-butoxy-2,3-dinitro-phenyl) 3-cyano-4-hexoxy-benzoate Openeye Name: (4-butoxy-2,3-dinitro-phenyl) 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid (4-butoxy-2,3-dinitrophenyl) ester IUPAC Name: (4-butoxy-2,3-dinitrophenyl) 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid (4-butoxy-2,3-dinitro-phenyl) ester Formula: C24H27N3O8 MolecularWeight: 485.48648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C24H27N3O8/c1-3-5-7-8-14-33-19-10-9-17(15-18(19)16-25)24(28)35-21-12-11-20(34-13-6-4-2)22(26(29)30)23(21)27(31)32/h9-12,15H,3-8,13-14H2,1-2H3