[(E)-(2,5-dimethoxyphenyl)methylideneamino] 4-iodanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [(E)-(2,5-dimethoxyphenyl)methylideneamino] 4-iodanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [(E)-(2,5-dimethoxyphenyl)methyleneamino] 4-iodo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-iodo-1-methyl-3-pyrazolecarboxylic acid [(E)-(2,5-dimethoxyphenyl)methylideneamino] ester IUPAC Name: [(E)-(2,5-dimethoxyphenyl)methylideneamino] 4-iodo-1-methylpyrazole-3-carboxylate Traditional Name: 4-iodo-1-methyl-pyrazole-3-carboxylic acid [(E)-(2,5-dimethoxybenzylidene)amino] ester Formula: C14H14IN3O4 MolecularWeight: 415.18313

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)ON=CC2=C(C=CC(=C2)OC)OC)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)O/N=C/C2=C(C=CC(=C2)OC)OC)I

InChI

InChI=1S/C14H14IN3O4/c1-18-8-11(15)13(17-18)14(19)22-16-7-9-6-10(20-2)4-5-12(9)21-3/h4-8H,1-3H3/b16-7+