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

Systemtic Name: methyl 2-bromanyl-3-[[5-(furan-2-yl)-3-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: methyl 2-bromo-3-[[5-(2-furyl)-3-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[[5-(2-furanyl)-3-oxo-1-cyclohexenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[[5-(furan-2-yl)-3-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 2-bromo-3-[[5-(2-furyl)-3-keto-cyclohexen-1-yl]amino]benzoic acid methyl ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=CO3)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=CO3)Br

InChI

InChI=1S/C18H16BrNO4/c1-23-18(22)14-4-2-5-15(17(14)19)20-12-8-11(9-13(21)10-12)16-6-3-7-24-16/h2-7,10-11,20H,8-9H2,1H3