3-[4-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate

Systemtic Name: 3-[4-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: 3-[4-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 3-[4-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate IUPAC Name: 3-[4-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 3-[4-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoate Formula: C19H14IN2O5- MolecularWeight: 477.22933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)[O-])C=C3C=C(C(=O)C(=C3)I)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)[O-])C=C3C=C(C(=O)C(=C3)I)OC

InChI

InChI=1S/C19H15IN2O5/c1-10-14(6-11-7-15(20)17(23)16(8-11)27-2)18(24)22(21-10)13-5-3-4-12(9-13)19(25)26/h3-9,21H,1-2H3,(H,25,26)/p-1