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

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

Systemtic Name:5-[bis(2-chloroethyl)amino]-2,4-dinitro-N-oxidanyl-benzamide
Openeye Name:5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbohydroxamic acid
CAS Name:5-[bis(2-chloroethyl)amino]-N-hydroxy-2,4-dinitrobenzamide
IUPAC Name:5-[bis(2-chloroethyl)amino]-N-hydroxy-2,4-dinitrobenzamide
Traditional Name:5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbohydroxamic acid
Formula: C11H12Cl2N4O6
MolecularWeight: 367.14218
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)NO


Isomeric SMILES

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)NO


InChI

InChI=1S/C11H12Cl2N4O6/c12-1-3-15(4-2-13)9-5-7(11(18)14-19)8(16(20)21)6-10(9)17(22)23/h5-6,19H,1-4H2,(H,14,18)


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