2-(2-hydroxyethyl)-2-(3-nitrophenyl)-4-oxidanyl-butanenitrile

Systemtic Name: 2-(2-hydroxyethyl)-2-(3-nitrophenyl)-4-oxidanyl-butanenitrile Openeye Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-nitrophenyl)butanenitrile CAS Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-nitrophenyl)butanenitrile IUPAC Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-nitrophenyl)butanenitrile Traditional Name: 4-hydroxy-2-(2-hydroxyethyl)-2-(3-nitrophenyl)butyronitrile Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4/c13-9-12(4-6-15,5-7-16)10-2-1-3-11(8-10)14(17)18/h1-3,8,15-16H,4-7H2