N-(2-bromoethyl)-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(2-bromoethyl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N-(2-bromoethyl)-2-methyl-3,5-dinitro-benzamide CAS Name: N-(2-bromoethyl)-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-(2-bromoethyl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N-(2-bromoethyl)-2-methyl-3,5-dinitro-benzamide Formula: C10H10BrN3O5 MolecularWeight: 332.1075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NCCBr)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NCCBr)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10BrN3O5/c1-6-8(10(15)12-3-2-11)4-7(13(16)17)5-9(6)14(18)19/h4-5H,2-3H2,1H3,(H,12,15)