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

Systemtic Name: 3-[bis(2-chloroethyl)amino]-N-(2-morpholin-4-ylethyl)-2,4-dinitro-benzamide Openeye Name: 3-[bis(2-chloroethyl)amino]-N-(2-morpholinoethyl)-2,4-dinitro-benzamide CAS Name: 3-[bis(2-chloroethyl)amino]-N-[2-(4-morpholinyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 3-[bis(2-chloroethyl)amino]-N-(2-morpholin-4-ylethyl)-2,4-dinitrobenzamide Traditional Name: 3-[bis(2-chloroethyl)amino]-N-(2-morpholinoethyl)-2,4-dinitro-benzamide Formula: C17H23Cl2N5O6 MolecularWeight: 464.30042

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=C(C(=C(C=C2)[N+](=O)[O-])N(CCCl)CCCl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC(=O)C2=C(C(=C(C=C2)[N+](=O)[O-])N(CCCl)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C17H23Cl2N5O6/c18-3-6-22(7-4-19)16-14(23(26)27)2-1-13(15(16)24(28)29)17(25)20-5-8-21-9-11-30-12-10-21/h1-2H,3-12H2,(H,20,25)