3,5-dinitro-4-[octyl(propyl)amino]benzoic acid

Systemtic Name: 3,5-dinitro-4-[octyl(propyl)amino]benzoic acid Openeye Name: 3,5-dinitro-4-[octyl(propyl)amino]benzoic acid CAS Name: 3,5-dinitro-4-[octyl(propyl)amino]benzoic acid IUPAC Name: 3,5-dinitro-4-[octyl(propyl)amino]benzoic acid Traditional Name: 3,5-dinitro-4-[octyl(propyl)amino]benzoic acid Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6/c1-3-5-6-7-8-9-11-19(10-4-2)17-15(20(24)25)12-14(18(22)23)13-16(17)21(26)27/h12-13H,3-11H2,1-2H3,(H,22,23)