4-nitro-3-[[(1-oxidanyl-3-phenyl-propan-2-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-nitro-3-[[(1-oxidanyl-3-phenyl-propan-2-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(1-benzyl-2-hydroxy-ethyl)amino]methyl]-4-nitro-benzonitrile CAS Name: 3-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]-4-nitrobenzonitrile IUPAC Name: 3-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]-4-nitrobenzonitrile Traditional Name: 3-[[(1-benzyl-2-hydroxy-ethyl)amino]methyl]-4-nitro-benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NCC2=C(C=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NCC2=C(C=CC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c18-10-14-6-7-17(20(22)23)15(8-14)11-19-16(12-21)9-13-4-2-1-3-5-13/h1-8,16,19,21H,9,11-12H2