5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbonitrile

Systemtic Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzenecarbonitrile Openeye Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzonitrile CAS Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzonitrile IUPAC Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzonitrile Traditional Name: 5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzonitrile Formula: C11H10Cl2N4O4 MolecularWeight: 333.1275

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C#N

InChI

InChI=1S/C11H10Cl2N4O4/c12-1-3-15(4-2-13)10-5-8(7-14)9(16(18)19)6-11(10)17(20)21/h5-6H,1-4H2