3-(4-methyl-3,5-dinitro-phenyl)-2-oxidanyl-propanenitrile

Systemtic Name: 3-(4-methyl-3,5-dinitro-phenyl)-2-oxidanyl-propanenitrile Openeye Name: 2-hydroxy-3-(4-methyl-3,5-dinitro-phenyl)propanenitrile CAS Name: 2-hydroxy-3-(4-methyl-3,5-dinitrophenyl)propanenitrile IUPAC Name: 2-hydroxy-3-(4-methyl-3,5-dinitrophenyl)propanenitrile Traditional Name: 2-hydroxy-3-(4-methyl-3,5-dinitro-phenyl)propionitrile Formula: C10H9N3O5 MolecularWeight: 251.19556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])CC(C#N)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])CC(C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O5/c1-6-9(12(15)16)3-7(2-8(14)5-11)4-10(6)13(17)18/h3-4,8,14H,2H2,1H3