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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzamide Openeye Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzamide CAS Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitrobenzamide IUPAC Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitrobenzamide Traditional Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzamide Formula: C11H12Cl2N4O5 MolecularWeight: 351.14278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12Cl2N4O5/c12-1-3-15(4-2-13)10-8(16(19)20)5-7(11(14)18)6-9(10)17(21)22/h5-6H,1-4H2,(H2,14,18)