3-[(4Z)-3-methyl-4-[[5-(5-nitro-2-oxidanidyl-phenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4Z)-3-methyl-4-[[5-(5-nitro-2-oxidanidyl-phenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-3-methyl-4-[[5-(5-nitro-2-oxido-phenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-3-methyl-4-[[5-(5-nitro-2-oxidophenyl)-2-furanyl]methylidene]-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-3-methyl-4-[[5-(5-nitro-2-oxidophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-[[5-(5-nitro-2-oxido-phenyl)-2-furyl]methylene]-2-pyrazolin-1-yl]benzoate Formula: C22H13N3O7-2 MolecularWeight: 431.35452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C22H15N3O7/c1-12-17(21(27)24(23-12)14-4-2-3-13(9-14)22(28)29)11-16-6-8-20(32-16)18-10-15(25(30)31)5-7-19(18)26/h2-11,26H,1H3,(H,28,29)/p-2/b17-11-