2-[bis(2-chloroethyl)amino]-3,5-dinitro-N-(5-oxidanylpentyl)benzamide

Systemtic Name: 2-[bis(2-chloroethyl)amino]-3,5-dinitro-N-(5-oxidanylpentyl)benzamide Openeye Name: 2-[bis(2-chloroethyl)amino]-N-(5-hydroxypentyl)-3,5-dinitro-benzamide CAS Name: 2-[bis(2-chloroethyl)amino]-N-(5-hydroxypentyl)-3,5-dinitrobenzamide IUPAC Name: 2-[bis(2-chloroethyl)amino]-N-(5-hydroxypentyl)-3,5-dinitrobenzamide Traditional Name: 2-[bis(2-chloroethyl)amino]-N-(5-hydroxypentyl)-3,5-dinitro-benzamide Formula: C16H22Cl2N4O6 MolecularWeight: 437.27508

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCCl)CCCl)C(=O)NCCCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N(CCCl)CCCl)C(=O)NCCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H22Cl2N4O6/c17-4-7-20(8-5-18)15-13(16(24)19-6-2-1-3-9-23)10-12(21(25)26)11-14(15)22(27)28/h10-11,23H,1-9H2,(H,19,24)