tert-butyl 2-[bis(2-bromoethyl)amino]-3,5-dinitro-benzoate

Systemtic Name: tert-butyl 2-[bis(2-bromoethyl)amino]-3,5-dinitro-benzoate Openeye Name: tert-butyl 2-[bis(2-bromoethyl)amino]-3,5-dinitro-benzoate CAS Name: 2-[bis(2-bromoethyl)amino]-3,5-dinitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[bis(2-bromoethyl)amino]-3,5-dinitrobenzoate Traditional Name: 2-[bis(2-bromoethyl)amino]-3,5-dinitro-benzoic acid tert-butyl ester Formula: C15H19Br2N3O6 MolecularWeight: 497.13586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19Br2N3O6/c1-15(2,3)26-14(21)11-8-10(19(22)23)9-12(20(24)25)13(11)18(6-4-16)7-5-17/h8-9H,4-7H2,1-3H3