3,4-dinitrobenzoate; N-propyloctan-1-amine

Systemtic Name: 3,4-dinitrobenzoate; N-propyloctan-1-amine Openeye Name: 3,4-dinitrobenzoate; N-propyloctan-1-amine CAS Name: 3,4-dinitrobenzoate; N-propyl-1-octanamine IUPAC Name: 3,4-dinitrobenzoate; N-propyloctan-1-amine Traditional Name: 3,4-dinitrobenzoate; octyl(propyl)amine Formula: C18H28N3O6- MolecularWeight: 382.43142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCCC.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCNCCC.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H25N.C7H4N2O6/c1-3-5-6-7-8-9-11-12-10-4-2;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h12H,3-11H2,1-2H3;1-3H,(H,10,11)/p-1