5-[bis(2-chloroethyl)amino]-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-2,4-dinitro-benzamide

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(2-hydroxy-1,1-dimethylol-ethyl)-2,4-dinitro-benzamide Formula: C15H20Cl2N4O8 MolecularWeight: 455.2473

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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)NC(CO)(CO)CO

Isomeric SMILES

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

InChI

InChI=1S/C15H20Cl2N4O8/c16-1-3-19(4-2-17)12-5-10(11(20(26)27)6-13(12)21(28)29)14(25)18-15(7-22,8-23)9-24/h5-6,22-24H,1-4,7-9H2,(H,18,25)