5-[[4-[2-chloroethyl(ethyl)amino]phenyl]methylamino]-2,4-dinitro-benzamide

Systemtic Name: 5-[[4-[2-chloroethyl(ethyl)amino]phenyl]methylamino]-2,4-dinitro-benzamide Openeye Name: 5-[[4-[2-chloroethyl(ethyl)amino]phenyl]methylamino]-2,4-dinitro-benzamide CAS Name: 5-[[4-[2-chloroethyl(ethyl)amino]phenyl]methylamino]-2,4-dinitrobenzamide IUPAC Name: 5-[[4-[2-chloroethyl(ethyl)amino]phenyl]methylamino]-2,4-dinitrobenzamide Traditional Name: 5-[[4-[2-chloroethyl(ethyl)amino]benzyl]amino]-2,4-dinitro-benzamide Formula: C18H20ClN5O5 MolecularWeight: 421.8349

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)C1=CC=C(C=C1)CNC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CCCl)C1=CC=C(C=C1)CNC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN5O5/c1-2-22(8-7-19)13-5-3-12(4-6-13)11-21-15-9-14(18(20)25)16(23(26)27)10-17(15)24(28)29/h3-6,9-10,21H,2,7-8,11H2,1H3,(H2,20,25)