4-azanyl-5-ethanoyl-1-(3-nitrophenyl)pyrazole-3-carbonitrile

Systemtic Name: 4-azanyl-5-ethanoyl-1-(3-nitrophenyl)pyrazole-3-carbonitrile Openeye Name: 5-acetyl-4-amino-1-(3-nitrophenyl)pyrazole-3-carbonitrile CAS Name: 5-acetyl-4-amino-1-(3-nitrophenyl)-3-pyrazolecarbonitrile IUPAC Name: 5-acetyl-4-amino-1-(3-nitrophenyl)pyrazole-3-carbonitrile Traditional Name: 5-acetyl-4-amino-1-(3-nitrophenyl)pyrazole-3-carbonitrile Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N

Isomeric SMILES

CC(=O)C1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C12H9N5O3/c1-7(18)12-11(14)10(6-13)15-16(12)8-3-2-4-9(5-8)17(19)20/h2-5H,14H2,1H3