(4-butoxy-2,3-dinitro-phenyl) 4-methylbenzoate

Systemtic Name: (4-butoxy-2,3-dinitro-phenyl) 4-methylbenzoate Openeye Name: (4-butoxy-2,3-dinitro-phenyl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (4-butoxy-2,3-dinitrophenyl) ester IUPAC Name: (4-butoxy-2,3-dinitrophenyl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (4-butoxy-2,3-dinitro-phenyl) ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7/c1-3-4-11-26-14-9-10-15(17(20(24)25)16(14)19(22)23)27-18(21)13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3