5-[2-[4-[methyl-(4-nitrophenyl)amino]butylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide

Systemtic Name: 5-[2-[4-[methyl-(4-nitrophenyl)amino]butylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-5-[1-hydroxy-2-[4-(N-methyl-4-nitro-anilino)butylamino]ethyl]benzamide CAS Name: 2-hydroxy-5-[1-hydroxy-2-[4-(N-methyl-4-nitroanilino)butylamino]ethyl]benzamide IUPAC Name: 2-hydroxy-5-[1-hydroxy-2-[4-(N-methyl-4-nitroanilino)butylamino]ethyl]benzamide Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[4-(N-methyl-4-nitro-anilino)butylamino]ethyl]benzamide Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCNCC(C1=CC(=C(C=C1)O)C(=O)N)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCCCNCC(C1=CC(=C(C=C1)O)C(=O)N)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5/c1-23(15-5-7-16(8-6-15)24(28)29)11-3-2-10-22-13-19(26)14-4-9-18(25)17(12-14)20(21)27/h4-9,12,19,22,25-26H,2-3,10-11,13H2,1H3,(H2,21,27)