5-(aziridin-1-yl)-2,4-dinitro-benzoic acid

Systemtic Name: 5-(aziridin-1-yl)-2,4-dinitro-benzoic acid Openeye Name: 5-(aziridin-1-yl)-2,4-dinitro-benzoic acid CAS Name: 5-(1-aziridinyl)-2,4-dinitrobenzoic acid IUPAC Name: 5-(aziridin-1-yl)-2,4-dinitrobenzoic acid Traditional Name: 5-ethylenimino-2,4-dinitro-benzoic acid Formula: C9H7N3O6 MolecularWeight: 253.16838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O6/c13-9(14)5-3-7(10-1-2-10)8(12(17)18)4-6(5)11(15)16/h3-4H,1-2H2,(H,13,14)