4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,3-dinitro-benzamide

Systemtic Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,3-dinitro-benzamide Openeye Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,3-dinitro-benzamide CAS Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,3-dinitrobenzamide IUPAC Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,3-dinitrobenzamide Traditional Name: 4-[bis(2-chloroethyl)amino]-N-(2-dimethylaminoethyl)-2,3-dinitro-benzamide Formula: C15H21Cl2N5O5 MolecularWeight: 422.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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