(4-methyl-2-prop-2-enyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-methyl-2-prop-2-enyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (2-allyl-4-methyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-methyl-2-prop-2-enylphenyl) ester IUPAC Name: (4-methyl-2-prop-2-enylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-allyl-4-methyl-phenyl) ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6/c1-3-4-12-7-11(2)5-6-16(12)25-17(20)13-8-14(18(21)22)10-15(9-13)19(23)24/h3,5-10H,1,4H2,2H3