4-[(E)-2-nitro-3-oxidanyl-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-nitro-3-oxidanyl-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-hydroxy-2-nitro-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-hydroxy-2-nitroprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-hydroxy-2-nitroprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-hydroxy-2-nitro-prop-1-enyl]benzonitrile Formula: C10H8N2O3 MolecularWeight: 204.18212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1/C=C(\CO)/[N+](=O)[O-])C#N

InChI

InChI=1S/C10H8N2O3/c11-6-9-3-1-8(2-4-9)5-10(7-13)12(14)15/h1-5,13H,7H2/b10-5+