methyl 2-bromanyl-3-[[4-(hydroxymethyl)-6-oxidanylidene-cyclohexen-1-yl]amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[[4-(hydroxymethyl)-6-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: methyl 2-bromo-3-[[4-(hydroxymethyl)-6-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[[4-(hydroxymethyl)-6-oxo-1-cyclohexenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[[4-(hydroxymethyl)-6-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 2-bromo-3-[(6-keto-4-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=CCC(CC2=O)CO)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CCC(CC2=O)CO)Br

InChI

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