5-nitro-2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzenecarbonitrile Openeye Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-5-nitro-benzonitrile Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O5/c16-8-11-7-13(19(23)24)5-6-14(11)17-9-15(20)10-1-3-12(4-2-10)18(21)22/h1-7,15,17,20H,9H2