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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-methyl-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-methyl-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-methyl-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-methyl-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-methyl-2,4-dinitro-benzamide Formula: C12H14Cl2N4O5 MolecularWeight: 365.16936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2N4O5/c1-15-12(19)8-6-10(16(4-2-13)5-3-14)11(18(22)23)7-9(8)17(20)21/h6-7H,2-5H2,1H3,(H,15,19)