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3,4-dinitrobenzoic acid; pentan-1-amine

3,4-dinitrobenzoic acid; pentan-1-amine

Systemtic Name:3,4-dinitrobenzoic acid; pentan-1-amine
Openeye Name:3,4-dinitrobenzoic acid; pentan-1-amine
CAS Name:3,4-dinitrobenzoic acid; 1-pentanamine
IUPAC Name:3,4-dinitrobenzoic acid; pentan-1-amine
Traditional Name:amylamine; 3,4-dinitrobenzoic acid
Formula: C12H17N3O6
MolecularWeight: 299.27988
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C7H4N2O6.C5H13N/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-2-3-4-5-6/h1-3H,(H,10,11);2-6H2,1H3


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