iodanylmethane; methyl 4-[3-(dimethylamino)propanoylamino]-2-oxidanyl-benzoate

Systemtic Name: iodanylmethane; methyl 4-[3-(dimethylamino)propanoylamino]-2-oxidanyl-benzoate Openeye Name: iodomethane; methyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxy-benzoate CAS Name: 4-[[3-(dimethylamino)-1-oxopropyl]amino]-2-hydroxybenzoic acid methyl ester; iodomethane IUPAC Name: iodomethane; methyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxybenzoate Traditional Name: 4-[3-(dimethylamino)propanoylamino]-2-hydroxy-benzoic acid methyl ester; iodomethane Formula: C14H21IN2O4 MolecularWeight: 408.23201

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.CI

Isomeric SMILES

CN(C)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.CI

InChI

InChI=1S/C13H18N2O4.CH3I/c1-15(2)7-6-12(17)14-9-4-5-10(11(16)8-9)13(18)19-3;1-2/h4-5,8,16H,6-7H2,1-3H3,(H,14,17);1H3