2-(2-azanylethylamino)-3,5-dinitro-benzoic acid

Systemtic Name: 2-(2-azanylethylamino)-3,5-dinitro-benzoic acid Openeye Name: 2-(2-aminoethylamino)-3,5-dinitro-benzoic acid CAS Name: 2-(2-aminoethylamino)-3,5-dinitrobenzoic acid IUPAC Name: 2-(2-aminoethylamino)-3,5-dinitrobenzoic acid Traditional Name: 2-(2-aminoethylamino)-3,5-dinitro-benzoic acid Formula: C9H10N4O6 MolecularWeight: 270.1989

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCCN)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCCN)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O6/c10-1-2-11-8-6(9(14)15)3-5(12(16)17)4-7(8)13(18)19/h3-4,11H,1-2,10H2,(H,14,15)