5-azanyl-1-(4-nitrophenyl)-1,2,3-triazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(4-nitrophenyl)-1,2,3-triazole-4-carbonitrile Openeye Name: 5-amino-1-(4-nitrophenyl)triazole-4-carbonitrile CAS Name: 5-amino-1-(4-nitrophenyl)-4-triazolecarbonitrile IUPAC Name: 5-amino-1-(4-nitrophenyl)triazole-4-carbonitrile Traditional Name: 5-amino-1-(4-nitrophenyl)triazole-4-carbonitrile Formula: C9H6N6O2 MolecularWeight: 230.18294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(N=N2)C#N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(N=N2)C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C9H6N6O2/c10-5-8-9(11)14(13-12-8)6-1-3-7(4-2-6)15(16)17/h1-4H,11H2