5-[bis(2-chloroethyl)amino]-N-(3-imidazol-1-ylpropyl)-2,4-dinitro-benzamide

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-(3-imidazol-1-ylpropyl)-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-(3-imidazol-1-ylpropyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-[3-(1-imidazolyl)propyl]-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-(3-imidazol-1-ylpropyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(3-imidazol-1-ylpropyl)-2,4-dinitro-benzamide Formula: C17H20Cl2N6O5 MolecularWeight: 459.2839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20Cl2N6O5/c18-2-7-23(8-3-19)15-10-13(14(24(27)28)11-16(15)25(29)30)17(26)21-4-1-6-22-9-5-20-12-22/h5,9-12H,1-4,6-8H2,(H,21,26)