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

Systemtic Name: 2-chloranyl-5-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 2-chloro-5-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxido-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 2-chloro-5-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 2-chloro-5-[(4Z)-4-[(3-ethoxy-5-nitro-4-oxidophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 2-chloro-5-[(4Z)-4-(3-ethoxy-5-nitro-4-oxido-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C20H14ClN3O7-2 MolecularWeight: 443.79406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C\2/C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])C

InChI

InChI=1S/C20H16ClN3O7/c1-3-31-17-8-11(7-16(18(17)25)24(29)30)6-13-10(2)22-23(19(13)26)12-4-5-15(21)14(9-12)20(27)28/h4-9,25H,3H2,1-2H3,(H,27,28)/p-2/b13-6-