4-[2-nitro-1,3-bis(oxidanyl)propyl]benzenecarbonitrile

Systemtic Name: 4-[2-nitro-1,3-bis(oxidanyl)propyl]benzenecarbonitrile Openeye Name: 4-(1,3-dihydroxy-2-nitro-propyl)benzonitrile CAS Name: 4-(1,3-dihydroxy-2-nitropropyl)benzonitrile IUPAC Name: 4-(1,3-dihydroxy-2-nitropropyl)benzonitrile Traditional Name: 4-(1,3-dihydroxy-2-nitro-propyl)benzonitrile Formula: C10H10N2O4 MolecularWeight: 222.1974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O4/c11-5-7-1-3-8(4-2-7)10(14)9(6-13)12(15)16/h1-4,9-10,13-14H,6H2