5-[bis(2-chloroethyl)amino]-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide Openeye Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide CAS Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitrocyclohexa-1,4-diene-1-carboxamide Traditional Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-cyclohexa-1,4-diene-1-carboxamide Formula: C11H14Cl2N4O5 MolecularWeight: 353.15866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1C(=C(CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C11H14Cl2N4O5/c12-1-3-15(4-2-13)9-5-7(11(14)18)8(16(19)20)6-10(9)17(21)22/h1-6H2,(H2,14,18)