1-(2-chloranyl-4-nitro-phenyl)-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 1-(2-chloro-4-nitro-phenyl)-1,2,4-triazole-3-carbonitrile CAS Name: 1-(2-chloro-4-nitrophenyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-(2-chloro-4-nitrophenyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(2-chloro-4-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Formula: C9H4ClN5O2 MolecularWeight: 249.61336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)N2C=NC(=N2)C#N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)N2C=NC(=N2)C#N

InChI

InChI=1S/C9H4ClN5O2/c10-7-3-6(15(16)17)1-2-8(7)14-5-12-9(4-11)13-14/h1-3,5H