ethyl 2-azido-4-(3,5-dimethylphenoxy)-5-iodanyl-6-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azido-4-(3,5-dimethylphenoxy)-5-iodanyl-6-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 2-azido-4-(3,5-dimethylphenoxy)-5-iodo-6-oxo-1H-pyridine-3-carboxylate CAS Name: 2-azido-4-(3,5-dimethylphenoxy)-5-iodo-6-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-azido-4-(3,5-dimethylphenoxy)-5-iodo-6-oxo-1H-pyridine-3-carboxylate Traditional Name: 2-azido-4-(3,5-dimethylphenoxy)-5-iodo-6-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C16H15IN4O4 MolecularWeight: 454.21917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)I)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)I)N=[N+]=[N-]

InChI

InChI=1S/C16H15IN4O4/c1-4-24-16(23)11-13(12(17)15(22)19-14(11)20-21-18)25-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H,19,22)