(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-nitrobenzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-nitrobenzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H14N4O4/c1-13-16(11-20)18(22(21-13)14-7-3-2-4-8-14)12-27-19(24)15-9-5-6-10-17(15)23(25)26/h2-10H,12H2,1H3