3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazole-4-carboxylate Formula: C17H12N3O5- MolecularWeight: 338.29428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)[O-])C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)[O-])C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c1-25-15-8-7-11(9-14(15)20(23)24)16-13(17(21)22)10-19(18-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22)/p-1