[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C18H16BrNO6/c1-25-17(23)12-4-2-11(3-5-12)9-20-16(22)10-26-18(24)14-8-13(19)6-7-15(14)21/h2-8,21H,9-10H2,1H3,(H,20,22)