ethyl (3aS,6aS)-5-(4-fluorophenyl)-1-nitroso-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: ethyl (3aS,6aS)-5-(4-fluorophenyl)-1-nitroso-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl (3aS,6aS)-5-(4-fluorophenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aS)-5-(4-fluorophenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6aS)-5-(4-fluorophenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aS)-5-(4-fluorophenyl)-4,6-diketo-1-nitroso-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C14H11FN4O5 MolecularWeight: 334.259343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)C3=CC=C(C=C3)F)N=O

Isomeric SMILES

CCOC(=O)C1=NN([C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)F)N=O

InChI

InChI=1S/C14H11FN4O5/c1-2-24-14(22)10-9-11(19(16-10)17-23)13(21)18(12(9)20)8-5-3-7(15)4-6-8/h3-6,9,11H,2H2,1H3/t9-,11+/m1/s1