[4-(2,2-dicyanoethenyl)phenyl] 1-methyl-4-nitro-pyrazole-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-methyl-4-nitro-pyrazole-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-methyl-4-nitro-pyrazole-3-carboxylate CAS Name: 1-methyl-4-nitro-3-pyrazolecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-methyl-4-nitropyrazole-3-carboxylate Traditional Name: 1-methyl-4-nitro-pyrazole-3-carboxylic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C15H9N5O4 MolecularWeight: 323.26306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H9N5O4/c1-19-9-13(20(22)23)14(18-19)15(21)24-12-4-2-10(3-5-12)6-11(7-16)8-17/h2-6,9H,1H3