methyl 2-bromanyl-3-[[5-(hydroxymethyl)-3-oxidanylidene-cyclohexen-1-yl]amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[[5-(hydroxymethyl)-3-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: methyl 2-bromo-3-[[5-(hydroxymethyl)-3-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[[5-(hydroxymethyl)-3-oxo-1-cyclohexenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[[5-(hydroxymethyl)-3-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 2-bromo-3-[(3-keto-5-methylol-cyclohexen-1-yl)amino]benzoic acid methyl ester Formula: C15H16BrNO4 MolecularWeight: 354.19584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)CO)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)CO)Br

InChI

InChI=1S/C15H16BrNO4/c1-21-15(20)12-3-2-4-13(14(12)16)17-10-5-9(8-18)6-11(19)7-10/h2-4,7,9,17-18H,5-6,8H2,1H3