2-[2-ethoxy-6-iodanyl-4-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[2-ethoxy-6-iodanyl-4-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[2-ethoxy-6-iodo-4-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenoxy]acetate CAS Name: 2-[2-ethoxy-6-iodo-4-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]phenoxy]acetate IUPAC Name: 2-[2-ethoxy-6-iodo-4-[(Z)-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-ethoxy-6-iodo-4-[(Z)-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]phenoxy]acetate Formula: C21H17IN3O7- MolecularWeight: 550.28005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18IN3O7/c1-3-31-18-10-13(9-17(22)20(18)32-11-19(26)27)8-16-12(2)23-24(21(16)28)14-4-6-15(7-5-14)25(29)30/h4-10H,3,11H2,1-2H3,(H,26,27)/p-1/b16-8-