5-(aziridin-1-yl)-N-[4-[2-bromoethyl(ethyl)amino]phenyl]-2,4-dinitro-benzamide

Systemtic Name: 5-(aziridin-1-yl)-N-[4-[2-bromoethyl(ethyl)amino]phenyl]-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-[4-[2-bromoethyl(ethyl)amino]phenyl]-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-N-[4-[2-bromoethyl(ethyl)amino]phenyl]-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-[4-[2-bromoethyl(ethyl)amino]phenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-[2-bromoethyl(ethyl)amino]phenyl]-5-ethylenimino-2,4-dinitro-benzamide Formula: C19H20BrN5O5 MolecularWeight: 478.2966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCBr)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N3CC3

Isomeric SMILES

CCN(CCBr)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N3CC3

InChI

InChI=1S/C19H20BrN5O5/c1-2-22(8-7-20)14-5-3-13(4-6-14)21-19(26)15-11-17(23-9-10-23)18(25(29)30)12-16(15)24(27)28/h3-6,11-12H,2,7-10H2,1H3,(H,21,26)