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

Systemtic Name: 3-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,4-dinitro-benzamide Openeye Name: 3-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,4-dinitro-benzamide CAS Name: 3-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,4-dinitrobenzamide IUPAC Name: 3-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,4-dinitrobenzamide Traditional Name: 3-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,4-dinitro-benzamide Formula: C15H21Cl2N5O5 MolecularWeight: 422.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21Cl2N5O5/c1-19(2)10-7-18-15(23)11-3-4-12(21(24)25)14(13(11)22(26)27)20(8-5-16)9-6-17/h3-4H,5-10H2,1-2H3,(H,18,23)