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

Systemtic Name: ethyl 4-[3-(dimethylamino)propanoylamino]-2-oxidanyl-benzoate; iodanylmethane Openeye Name: ethyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxy-benzoate; iodomethane CAS Name: 4-[[3-(dimethylamino)-1-oxopropyl]amino]-2-hydroxybenzoic acid ethyl ester; iodomethane IUPAC Name: ethyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxybenzoate; iodomethane Traditional Name: 4-[3-(dimethylamino)propanoylamino]-2-hydroxy-benzoic acid ethyl ester; iodomethane Formula: C15H23IN2O4 MolecularWeight: 422.25859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(C)C)O.CI

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(C)C)O.CI

InChI

InChI=1S/C14H20N2O4.CH3I/c1-4-20-14(19)11-6-5-10(9-12(11)17)15-13(18)7-8-16(2)3;1-2/h5-6,9,17H,4,7-8H2,1-3H3,(H,15,18);1H3