methyl 4-butyl-8-iodanyl-3-oxidanylidene-1,4-benzoxazine-6-carboxylate

Systemtic Name: methyl 4-butyl-8-iodanyl-3-oxidanylidene-1,4-benzoxazine-6-carboxylate Openeye Name: methyl 4-butyl-8-iodo-3-oxo-1,4-benzoxazine-6-carboxylate CAS Name: 4-butyl-8-iodo-3-oxo-1,4-benzoxazine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-butyl-8-iodo-3-oxo-1,4-benzoxazine-6-carboxylate Traditional Name: 4-butyl-8-iodo-3-keto-1,4-benzoxazine-6-carboxylic acid methyl ester Formula: C14H16INO4 MolecularWeight: 389.18561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)COC2=C1C=C(C=C2I)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)COC2=C1C=C(C=C2I)C(=O)OC

InChI

InChI=1S/C14H16INO4/c1-3-4-5-16-11-7-9(14(18)19-2)6-10(15)13(11)20-8-12(16)17/h6-7H,3-5,8H2,1-2H3