4-[dimethyl(propyl)azaniumyl]-3,5-dinitro-benzoate

Systemtic Name: 4-[dimethyl(propyl)azaniumyl]-3,5-dinitro-benzoate Openeye Name: 4-[dimethyl(propyl)ammonio]-3,5-dinitro-benzoate CAS Name: 4-[dimethyl(propyl)ammonio]-3,5-dinitrobenzoate IUPAC Name: 4-[dimethyl(propyl)azaniumyl]-3,5-dinitrobenzoate Traditional Name: 4-[dimethyl(propyl)ammonio]-3,5-dinitro-benzoate Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC[N+](C)(C)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-4-5-15(2,3)11-9(13(18)19)6-8(12(16)17)7-10(11)14(20)21/h6-7H,4-5H2,1-3H3