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

Systemtic Name: 4-[(3-ethoxy-5-iodanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-naphthalen-2-yl-1H-pyrazol-3-one Openeye Name: 4-[(3-ethoxy-5-iodo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(2-naphthyl)-1H-pyrazol-3-one CAS Name: 4-[(3-ethoxy-5-iodo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-(2-naphthalenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(3-ethoxy-5-iodo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-naphthalen-2-yl-1H-pyrazol-3-one Traditional Name: 4-[(3-ethoxy-5-iodo-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(2-naphthyl)-3-pyrazolin-3-one Formula: C23H19IN2O3 MolecularWeight: 498.31303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC4=CC=CC=C4C=C3)C)C=C(C1=O)I

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC4=CC=CC=C4C=C3)C)C=C(C1=O)I

InChI

InChI=1S/C23H19IN2O3/c1-3-29-21-12-15(11-20(24)22(21)27)10-19-14(2)25-26(23(19)28)18-9-8-16-6-4-5-7-17(16)13-18/h4-13,25H,3H2,1-2H3