2-chloranyl-5-[4-[(3-ethoxy-5-iodanyl-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-ethoxy-5-iodanyl-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-ethoxy-5-iodo-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-ethoxy-5-iodo-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-ethoxy-5-iodo-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-ethoxy-5-iodo-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C20H16ClIN2O5 MolecularWeight: 526.70891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)C=C(C1=O)I

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)C=C(C1=O)I

InChI

InChI=1S/C20H16ClIN2O5/c1-3-29-17-8-11(7-16(22)18(17)25)6-13-10(2)23-24(19(13)26)12-4-5-15(21)14(9-12)20(27)28/h4-9,23H,3H2,1-2H3,(H,27,28)