[5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazin-2-yl] 4-nitrobenzoate

Systemtic Name: [5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazin-2-yl] 4-nitrobenzoate Openeye Name: (5,8-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazin-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (5,8-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazin-2-yl) ester IUPAC Name: (5,8-dioxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazin-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (5,8-diketo-2,3-dihydro-1H-pyrazolo[1,2-a]pyridazin-2-yl) ester Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN2N1C(=O)C=CC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(CN2N1C(=O)C=CC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6/c18-12-5-6-13(19)16-8-11(7-15(12)16)23-14(20)9-1-3-10(4-2-9)17(21)22/h1-6,11H,7-8H2