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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide Openeye Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide CAS Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-3,5-dinitrobenzamide IUPAC Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-3,5-dinitrobenzamide Traditional Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide Formula: C15H21Cl2N5O5 MolecularWeight: 422.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21Cl2N5O5/c1-19(2)8-5-18-15(23)11-9-12(21(24)25)14(13(10-11)22(26)27)20(6-3-16)7-4-17/h9-10H,3-8H2,1-2H3,(H,18,23)