5-[bis(2-bromoethyl)amino]-N-[2,3-bis(oxidanylidene)propyl]-2,4-dinitro-benzamide

Systemtic Name: 5-[bis(2-bromoethyl)amino]-N-[2,3-bis(oxidanylidene)propyl]-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-bromoethyl)amino]-N-(2,3-diketopropyl)-2,4-dinitro-benzamide Formula: C14H14Br2N4O7 MolecularWeight: 510.09156

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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)NCC(=O)C=O

Isomeric SMILES

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

InChI

InChI=1S/C14H14Br2N4O7/c15-1-3-18(4-2-16)12-5-10(14(23)17-7-9(22)8-21)11(19(24)25)6-13(12)20(26)27/h5-6,8H,1-4,7H2,(H,17,23)