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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-N-(2-oxidanylpropyl)benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxypropyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxypropyl)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxypropyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxypropyl)-2,4-dinitro-benzamide Formula: C14H18Cl2N4O6 MolecularWeight: 409.22192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Cl2N4O6/c1-9(21)8-17-14(22)10-6-12(18(4-2-15)5-3-16)13(20(25)26)7-11(10)19(23)24/h6-7,9,21H,2-5,8H2,1H3,(H,17,22)