4-(azepan-1-yl)-3,5-dinitro-benzoic acid

Systemtic Name: 4-(azepan-1-yl)-3,5-dinitro-benzoic acid Openeye Name: 4-(azepan-1-yl)-3,5-dinitro-benzoic acid CAS Name: 4-(1-azepanyl)-3,5-dinitrobenzoic acid IUPAC Name: 4-(azepan-1-yl)-3,5-dinitrobenzoic acid Traditional Name: 4-(azepan-1-yl)-3,5-dinitro-benzoic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c17-13(18)9-7-10(15(19)20)12(11(8-9)16(21)22)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,17,18)