3-nitro-4-[[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzamide

Systemtic Name: 3-nitro-4-[[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzamide Openeye Name: 4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitro-benzamide CAS Name: 4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitrobenzamide Traditional Name: 4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitro-benzamide Formula: C15H14N4O6 MolecularWeight: 346.29486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@H](CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O6/c16-15(21)10-3-6-12(13(7-10)19(24)25)17-8-14(20)9-1-4-11(5-2-9)18(22)23/h1-7,14,17,20H,8H2,(H2,16,21)/t14-/m0/s1