[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-nitro-phenyl] furan-2-carboxylate

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-nitro-phenyl] furan-2-carboxylate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-4-nitro-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-4-nitrophenyl] ester IUPAC Name: [2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-4-nitro-phenyl] ester Formula: C21H13N3O7 MolecularWeight: 419.34382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C4=CC=CO4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C21H13N3O7/c25-19-16(20(26)23(22-19)14-5-2-1-3-6-14)12-13-11-15(24(28)29)8-9-17(13)31-21(27)18-7-4-10-30-18/h1-12H,(H,22,25)