5-[bis(2-chloroethyl)amino]-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-[2-(1-imidazolyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-(2-imidazol-1-ylethyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide Formula: C16H18Cl2N6O5 MolecularWeight: 445.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CN(C=N1)CCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C16H18Cl2N6O5/c17-1-5-22(6-2-18)14-9-12(13(23(26)27)10-15(14)24(28)29)16(25)20-4-8-21-7-3-19-11-21/h3,7,9-11H,1-2,4-6,8H2,(H,20,25)