N-[bis(2-chloroethyl)amino]-N-[3-(2-dimethylaminoethyl)-2-nitro-phenyl]carbonyl-nitramide

Systemtic Name: N-[bis(2-chloroethyl)amino]-N-[3-(2-dimethylaminoethyl)-2-nitro-phenyl]carbonyl-nitramide Openeye Name: N-[bis(2-chloroethyl)amino]-N-[3-(2-dimethylaminoethyl)-2-nitro-benzoyl]nitramide CAS Name: N-[bis(2-chloroethyl)amino]-N-[[3-(2-dimethylaminoethyl)-2-nitrophenyl]-oxomethyl]nitramide IUPAC Name: N-[bis(2-chloroethyl)amino]-N-[3-(2-dimethylaminoethyl)-2-nitrobenzoyl]nitramide Traditional Name: N-[bis(2-chloroethyl)amino]-N-[3-(2-dimethylaminoethyl)-2-nitro-benzoyl]nitramide Formula: C15H21Cl2N5O5 MolecularWeight: 422.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=CC(=C1[N+](=O)[O-])C(=O)N(N(CCCl)CCCl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCC1=CC=CC(=C1[N+](=O)[O-])C(=O)N(N(CCCl)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C15H21Cl2N5O5/c1-18(2)9-6-12-4-3-5-13(14(12)21(24)25)15(23)20(22(26)27)19(10-7-16)11-8-17/h3-5H,6-11H2,1-2H3