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

Systemtic Name: N-(2-azanylethyl)-5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzamide Openeye Name: N-(2-aminoethyl)-5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzamide CAS Name: N-(2-aminoethyl)-5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzamide IUPAC Name: N-(2-aminoethyl)-5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzamide Traditional Name: N-(2-aminoethyl)-5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzamide Formula: C13H17Cl2N5O5 MolecularWeight: 394.21058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2N5O5/c14-1-5-18(6-2-15)11-7-9(13(21)17-4-3-16)10(19(22)23)8-12(11)20(24)25/h7-8H,1-6,16H2,(H,17,21)