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

Systemtic Name: 2-[bis(2-chloroethyl)amino]-3,5-dinitro-N-(3-oxidanylpropyl)benzamide Openeye Name: 2-[bis(2-chloroethyl)amino]-N-(3-hydroxypropyl)-3,5-dinitro-benzamide CAS Name: 2-[bis(2-chloroethyl)amino]-N-(3-hydroxypropyl)-3,5-dinitrobenzamide IUPAC Name: 2-[bis(2-chloroethyl)amino]-N-(3-hydroxypropyl)-3,5-dinitrobenzamide Traditional Name: 2-[bis(2-chloroethyl)amino]-N-(3-hydroxypropyl)-3,5-dinitro-benzamide Formula: C14H18Cl2N4O6 MolecularWeight: 409.22192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18Cl2N4O6/c15-2-5-18(6-3-16)13-11(14(22)17-4-1-7-21)8-10(19(23)24)9-12(13)20(25)26/h8-9,21H,1-7H2,(H,17,22)