2-[bis(2-chloroethyl)amino]-3,5-dinitro-N-(4-oxidanylbutyl)benzamide

Systemtic Name: 2-[bis(2-chloroethyl)amino]-3,5-dinitro-N-(4-oxidanylbutyl)benzamide Openeye Name: 2-[bis(2-chloroethyl)amino]-N-(4-hydroxybutyl)-3,5-dinitro-benzamide CAS Name: 2-[bis(2-chloroethyl)amino]-N-(4-hydroxybutyl)-3,5-dinitrobenzamide IUPAC Name: 2-[bis(2-chloroethyl)amino]-N-(4-hydroxybutyl)-3,5-dinitrobenzamide Traditional Name: 2-[bis(2-chloroethyl)amino]-N-(4-hydroxybutyl)-3,5-dinitro-benzamide Formula: C15H20Cl2N4O6 MolecularWeight: 423.2485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20Cl2N4O6/c16-3-6-19(7-4-17)14-12(15(23)18-5-1-2-8-22)9-11(20(24)25)10-13(14)21(26)27/h9-10,22H,1-8H2,(H,18,23)