ethyl 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoate

Systemtic Name: ethyl 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoate Openeye Name: ethyl 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoate CAS Name: 3-[bis(2-chloroethyl)amino]-2,6-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[bis(2-chloroethyl)amino]-2,6-dinitrobenzoate Traditional Name: 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoic acid ethyl ester Formula: C13H15Cl2N3O6 MolecularWeight: 380.1807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N3O6/c1-2-24-13(19)11-9(17(20)21)3-4-10(12(11)18(22)23)16(7-5-14)8-6-15/h3-4H,2,5-8H2,1H3