azepane; 3,5-dinitrobenzoic acid

Systemtic Name: azepane; 3,5-dinitrobenzoic acid Openeye Name: azepane; 3,5-dinitrobenzoic acid CAS Name: azepane; 3,5-dinitrobenzoic acid IUPAC Name: azepane; 3,5-dinitrobenzoic acid Traditional Name: azepane; 3,5-dinitrobenzoic acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCC1.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCCNCC1.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H4N2O6.C6H13N/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-4-6-7-5-3-1/h1-3H,(H,10,11);7H,1-6H2