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

Systemtic Name: 3,4-dinitrobenzoate; N-propylhexan-1-amine Openeye Name: 3,4-dinitrobenzoate; N-propylhexan-1-amine CAS Name: 3,4-dinitrobenzoate; N-propyl-1-hexanamine IUPAC Name: 3,4-dinitrobenzoate; N-propylhexan-1-amine Traditional Name: 3,4-dinitrobenzoate; hexyl(propyl)amine Formula: C16H24N3O6- MolecularWeight: 354.37826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21N.C7H4N2O6/c1-3-5-6-7-9-10-8-4-2;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h10H,3-9H2,1-2H3;1-3H,(H,10,11)/p-1