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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-(3-morpholin-4-ylpropyl)-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-(3-morpholinopropyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-[3-(4-morpholinyl)propyl]-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(3-morpholinopropyl)-2,4-dinitro-benzamide Formula: C18H25Cl2N5O6 MolecularWeight: 478.327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C18H25Cl2N5O6/c19-2-6-23(7-3-20)16-12-14(15(24(27)28)13-17(16)25(29)30)18(26)21-4-1-5-22-8-10-31-11-9-22/h12-13H,1-11H2,(H,21,26)