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

Systemtic Name: 2-chloranyl-5-[4-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 2-chloro-5-[4-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 2-chloro-5-[4-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 2-chloro-5-[4-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 2-chloro-5-[4-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C19H14ClIN2O5 MolecularWeight: 512.68233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)O)C=C3C=C(C(=O)C(=C3)I)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)O)C=C3C=C(C(=O)C(=C3)I)OC

InChI

InChI=1S/C19H14ClIN2O5/c1-9-12(5-10-6-15(21)17(24)16(7-10)28-2)18(25)23(22-9)11-3-4-14(20)13(8-11)19(26)27/h3-8,22H,1-2H3,(H,26,27)