(3-methyl-4-propan-2-yl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3,5-dinitrobenzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-10(2)16-5-4-15(6-11(16)3)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h4-10H,1-3H3