[2-iodanyl-6-methoxy-4-[(Z)-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)methyl]phenyl] ethanoate

Systemtic Name: [2-iodanyl-6-methoxy-4-[(Z)-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)methyl]phenyl] ethanoate Openeye Name: [2-iodo-6-methoxy-4-[(Z)-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)methyl]phenyl] acetate CAS Name: acetic acid [2-iodo-6-methoxy-4-[(Z)-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-iodo-6-methoxy-4-[(Z)-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)methyl]phenyl] acetate Traditional Name: acetic acid [2-iodo-4-[(Z)-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)methyl]-6-methoxy-phenyl] ester Formula: C20H17IN2O4 MolecularWeight: 476.26445

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C)C3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1I)/C=C\2/C(=NN(C2=O)C)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H17IN2O4/c1-12(24)27-19-16(21)10-13(11-17(19)26-3)9-15-18(22-23(2)20(15)25)14-7-5-4-6-8-14/h4-11H,1-3H3/b15-9-