(2-methoxy-5-nitro-phenyl)methyl 1-phenylpyrazole-4-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-phenylpyrazole-4-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O5/c1-25-17-8-7-16(21(23)24)9-13(17)12-26-18(22)14-10-19-20(11-14)15-5-3-2-4-6-15/h2-11H,12H2,1H3