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

Systemtic Name: 3,4-dinitrobenzoate; N-propylpropan-1-amine Openeye Name: 3,4-dinitrobenzoate; N-propylpropan-1-amine CAS Name: 3,4-dinitrobenzoate; N-propyl-1-propanamine IUPAC Name: 3,4-dinitrobenzoate; N-propylpropan-1-amine Traditional Name: 3,4-dinitrobenzoate; dipropylamine Formula: C13H18N3O6- MolecularWeight: 312.29852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N2O6.C6H15N/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-3-5-7-6-4-2/h1-3H,(H,10,11);7H,3-6H2,1-2H3/p-1