2-(2,4-dinitrophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 2-(2,4-dinitrophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propanenitrile Openeye Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanenitrile CAS Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanenitrile Traditional Name: 2-(2,4-dinitrophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propionitrile Formula: C11H8N6O5 MolecularWeight: 304.21842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(CN2C=NC=N2)(C#N)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(CN2C=NC=N2)(C#N)O

InChI

InChI=1S/C11H8N6O5/c12-4-11(18,5-15-7-13-6-14-15)9-2-1-8(16(19)20)3-10(9)17(21)22/h1-3,6-7,18H,5H2