(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5/c1-3-29-20-10-9-15(11-18(20)25(27)28)21(26)30-13-19-17(12-22)14(2)23-24(19)16-7-5-4-6-8-16/h4-11H,3,13H2,1-2H3