4-[[cyano-(4-nitrophenyl)methylidene]amino]-3,5-dimethyl-pyrazole-1-carboxamide

Systemtic Name: 4-[[cyano-(4-nitrophenyl)methylidene]amino]-3,5-dimethyl-pyrazole-1-carboxamide Openeye Name: N-(1-carbamoyl-3,5-dimethyl-pyrazol-4-yl)-4-nitro-benzimidoyl cyanide CAS Name: 4-[[cyano-(4-nitrophenyl)methylidene]amino]-3,5-dimethyl-1-pyrazolecarboxamide IUPAC Name: N-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)-4-nitrobenzenecarboximidoyl cyanide Traditional Name: 4-[[cyano-(4-nitrophenyl)methylene]amino]-3,5-dimethyl-pyrazole-1-carboxamide Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)N)C)N=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)N)C)N=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O3/c1-8-13(9(2)19(18-8)14(16)21)17-12(7-15)10-3-5-11(6-4-10)20(22)23/h3-6H,1-2H3,(H2,16,21)