4-[4-[(E)-(3-iodanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[(E)-(3-iodanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-[(E)-(3-iodo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-[(E)-(3-iodo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-[(E)-(3-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-[(E)-(3-iodo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-5-keto-3-propyl-3-pyrazolin-1-yl]benzoic acid Formula: C20H17IN2O4 MolecularWeight: 476.26445

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=C3C=C(C=CC3=O)I

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)/C=C/3\C=C(C=CC3=O)I

InChI

InChI=1S/C20H17IN2O4/c1-2-3-17-16(11-13-10-14(21)6-9-18(13)24)19(25)23(22-17)15-7-4-12(5-8-15)20(26)27/h4-11,22H,2-3H2,1H3,(H,26,27)/b13-11+