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

Systemtic Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-2,4-dinitro-benzamide Openeye Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-2,4-dinitro-benzamide CAS Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-2,4-dinitrobenzamide IUPAC Name: 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylamino]-2,4-dinitrobenzamide Traditional Name: 5-[[4-[bis(2-chloroethyl)amino]benzyl]amino]-2,4-dinitro-benzamide Formula: C18H19Cl2N5O5 MolecularWeight: 456.27996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C18H19Cl2N5O5/c19-5-7-23(8-6-20)13-3-1-12(2-4-13)11-22-15-9-14(18(21)26)16(24(27)28)10-17(15)25(29)30/h1-4,9-10,22H,5-8,11H2,(H2,21,26)