5-[bis(2-chloroethyl)amino]-N-(4-morpholin-4-ylbutyl)-2,4-dinitro-benzamide

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-(4-morpholin-4-ylbutyl)-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-(4-morpholinobutyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-[4-(4-morpholinyl)butyl]-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-(4-morpholin-4-ylbutyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(4-morpholinobutyl)-2,4-dinitro-benzamide Formula: C19H27Cl2N5O6 MolecularWeight: 492.35358

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1COCCN1CCCCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C19H27Cl2N5O6/c20-3-7-24(8-4-21)17-13-15(16(25(28)29)14-18(17)26(30)31)19(27)22-5-1-2-6-23-9-11-32-12-10-23/h13-14H,1-12H2,(H,22,27)