3-nitro-4-[(2-oxidanyl-2-phenyl-ethyl)amino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(2-oxidanyl-2-phenyl-ethyl)amino]benzenecarbonitrile Openeye Name: 4-[(2-hydroxy-2-phenyl-ethyl)amino]-3-nitro-benzonitrile CAS Name: 4-[(2-hydroxy-2-phenylethyl)amino]-3-nitrobenzonitrile IUPAC Name: 4-[(2-hydroxy-2-phenylethyl)amino]-3-nitrobenzonitrile Traditional Name: 4-[(2-hydroxy-2-phenyl-ethyl)amino]-3-nitro-benzonitrile Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3/c16-9-11-6-7-13(14(8-11)18(20)21)17-10-15(19)12-4-2-1-3-5-12/h1-8,15,17,19H,10H2