4-[[cyano-(4-nitrophenyl)methylidene]amino]-3-methyl-5-phenyl-pyrazole-1-carboxamide

Systemtic Name: 4-[[cyano-(4-nitrophenyl)methylidene]amino]-3-methyl-5-phenyl-pyrazole-1-carboxamide Openeye Name: N-(1-carbamoyl-3-methyl-5-phenyl-pyrazol-4-yl)-4-nitro-benzimidoyl cyanide CAS Name: 4-[[cyano-(4-nitrophenyl)methylidene]amino]-3-methyl-5-phenyl-1-pyrazolecarboxamide IUPAC Name: N-(1-carbamoyl-3-methyl-5-phenylpyrazol-4-yl)-4-nitrobenzenecarboximidoyl cyanide Traditional Name: 4-[[cyano-(4-nitrophenyl)methylene]amino]-3-methyl-5-phenyl-pyrazole-1-carboxamide Formula: C19H14N6O3 MolecularWeight: 374.35286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=NN(C(=C1N=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H14N6O3/c1-12-17(18(24(23-12)19(21)26)14-5-3-2-4-6-14)22-16(11-20)13-7-9-15(10-8-13)25(27)28/h2-10H,1H3,(H2,21,26)