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

Systemtic Name: 1-(4-ethanoyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 1-(4-acetyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile CAS Name: 1-(4-acetyl-2-nitrophenyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-(4-acetyl-2-nitrophenyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(4-acetyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Formula: C11H7N5O3 MolecularWeight: 257.20498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N5O3/c1-7(17)8-2-3-9(10(4-8)16(18)19)15-6-13-11(5-12)14-15/h2-4,6H,1H3