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

Systemtic Name: 5-[[4-[2-bromoethyl(ethyl)amino]phenyl]amino]-2,4-dinitro-benzamide Openeye Name: 5-[4-[2-bromoethyl(ethyl)amino]anilino]-2,4-dinitro-benzamide CAS Name: 5-[4-[2-bromoethyl(ethyl)amino]anilino]-2,4-dinitrobenzamide IUPAC Name: 5-[4-[2-bromoethyl(ethyl)amino]anilino]-2,4-dinitrobenzamide Traditional Name: 5-[4-[2-bromoethyl(ethyl)amino]anilino]-2,4-dinitro-benzamide Formula: C17H18BrN5O5 MolecularWeight: 452.25932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCBr)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CCBr)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN5O5/c1-2-21(8-7-18)12-5-3-11(4-6-12)20-14-9-13(17(19)24)15(22(25)26)10-16(14)23(27)28/h3-6,9-10,20H,2,7-8H2,1H3,(H2,19,24)