3-nitro-2-oxidanyl-5-(phenylmethyl)benzenecarbonitrile

Systemtic Name: 3-nitro-2-oxidanyl-5-(phenylmethyl)benzenecarbonitrile Openeye Name: 5-benzyl-2-hydroxy-3-nitro-benzonitrile CAS Name: 2-hydroxy-3-nitro-5-(phenylmethyl)benzonitrile IUPAC Name: 5-benzyl-2-hydroxy-3-nitrobenzonitrile Traditional Name: 5-benzyl-2-hydroxy-3-nitro-benzonitrile Formula: C14H10N2O3 MolecularWeight: 254.2408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C#N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O3/c15-9-12-7-11(6-10-4-2-1-3-5-10)8-13(14(12)17)16(18)19/h1-5,7-8,17H,6H2