2-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]-2-oxidanyl-butanedinitrile

Systemtic Name: 2-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]-2-oxidanyl-butanedinitrile Openeye Name: 2-[(3,4-dihydroxy-5-nitro-phenyl)methyl]-2-hydroxy-butanedinitrile CAS Name: 2-[(3,4-dihydroxy-5-nitrophenyl)methyl]-2-hydroxybutanedinitrile IUPAC Name: 2-[(3,4-dihydroxy-5-nitrophenyl)methyl]-2-hydroxybutanedinitrile Traditional Name: 2-(3,4-dihydroxy-5-nitro-benzyl)-2-hydroxy-succinonitrile Formula: C11H9N3O5 MolecularWeight: 263.20626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O5/c12-2-1-11(17,6-13)5-7-3-8(14(18)19)10(16)9(15)4-7/h3-4,15-17H,1,5H2