(4-methoxyphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-methoxyphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-methoxyphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-methoxyphenyl) ester Formula: C15H12N2O7 MolecularWeight: 332.26498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O7/c1-9-13(16(19)20)7-10(8-14(9)17(21)22)15(18)24-12-5-3-11(23-2)4-6-12/h3-8H,1-2H3