5-azanyl-3-methyl-1-(2-nitrophenyl)carbonyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-methyl-1-(2-nitrophenyl)carbonyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-methyl-1-[(2-nitrophenyl)-oxomethyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-methyl-1-(2-nitrobenzoyl)pyrazole-4-carbonitrile Formula: C12H9N5O3 MolecularWeight: 271.23156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)N)C(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1C#N)N)C(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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