5-(furan-2-yl)-4-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(furan-2-yl)-4-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-(2-furyl)-4-[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-(2-furanyl)-4-[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(furan-2-yl)-4-[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-(2-furyl)-4-[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-3-pyrazolin-3-one Formula: C14H9N3O5 MolecularWeight: 299.23836

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=O)NN2)C=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=C(C(=O)NN2)/C=C/3\C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O5/c18-11-4-3-9(17(20)21)6-8(11)7-10-13(15-16-14(10)19)12-2-1-5-22-12/h1-7H,(H2,15,16,19)/b8-7+