(6-phenylpyridazin-3-yl) 2-nitrobenzoate

Systemtic Name: (6-phenylpyridazin-3-yl) 2-nitrobenzoate Openeye Name: (6-phenylpyridazin-3-yl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (6-phenyl-3-pyridazinyl) ester IUPAC Name: (6-phenylpyridazin-3-yl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (6-phenylpyridazin-3-yl) ester Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O4/c21-17(13-8-4-5-9-15(13)20(22)23)24-16-11-10-14(18-19-16)12-6-2-1-3-7-12/h1-11H