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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxyethyloxy)-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxyethoxy)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxyethoxy)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxyethoxy)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxyethoxy)-2,4-dinitro-benzamide Formula: C13H16Cl2N4O7 MolecularWeight: 411.19474

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)NOCCO

Isomeric SMILES

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)NOCCO

InChI

InChI=1S/C13H16Cl2N4O7/c14-1-3-17(4-2-15)11-7-9(13(21)16-26-6-5-20)10(18(22)23)8-12(11)19(24)25/h7-8,20H,1-6H2,(H,16,21)