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

Systemtic Name: 3,4-dinitrobenzoate; N-propylbutan-1-amine Openeye Name: 3,4-dinitrobenzoate; N-propylbutan-1-amine CAS Name: 3,4-dinitrobenzoate; N-propyl-1-butanamine IUPAC Name: 3,4-dinitrobenzoate; N-propylbutan-1-amine Traditional Name: butyl(propyl)amine; 3,4-dinitrobenzoate Formula: C14H20N3O6- MolecularWeight: 326.3251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N2O6.C7H17N/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-3-5-7-8-6-4-2/h1-3H,(H,10,11);8H,3-7H2,1-2H3/p-1