5-[bis(2-bromoethyl)amino]-2,4-dinitro-benzoic acid

Systemtic Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-benzoic acid Openeye Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-benzoic acid CAS Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitrobenzoic acid IUPAC Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitrobenzoic acid Traditional Name: 5-[bis(2-bromoethyl)amino]-2,4-dinitro-benzoic acid Formula: C11H11Br2N3O6 MolecularWeight: 441.02954

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H11Br2N3O6/c12-1-3-14(4-2-13)9-5-7(11(17)18)8(15(19)20)6-10(9)16(21)22/h5-6H,1-4H2,(H,17,18)