3,5-dinitrobenzoic acid; propan-2-amine

Systemtic Name: 3,5-dinitrobenzoic acid; propan-2-amine Openeye Name: 3,5-dinitrobenzoic acid; propan-2-amine CAS Name: 3,5-dinitrobenzoic acid; 2-propanamine IUPAC Name: 3,5-dinitrobenzoic acid; propan-2-amine Traditional Name: 3,5-dinitrobenzoic acid; isopropylamine Formula: C10H13N3O6 MolecularWeight: 271.22672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N2O6.C3H9N/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-3(2)4/h1-3H,(H,10,11);3H,4H2,1-2H3