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

Systemtic Name: 3-[(4Z)-4-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-4-[(3-methoxy-5-nitro-4-oxido-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-4-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-4-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-5-keto-4-(3-methoxy-5-nitro-4-oxido-benzylidene)-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C19H13N3O7-2 MolecularWeight: 395.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O7/c1-10-14(6-11-7-15(22(27)28)17(23)16(8-11)29-2)18(24)21(20-10)13-5-3-4-12(9-13)19(25)26/h3-9,23H,1-2H3,(H,25,26)/p-2/b14-6-