[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C16H13BrClNO4 MolecularWeight: 398.63572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC(=CC=C2)Br)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC(=CC=C2)Br)Cl)N

InChI

InChI=1S/C16H13BrClNO4/c1-22-15-7-13(19)12(18)6-11(15)16(21)23-8-14(20)9-3-2-4-10(17)5-9/h2-7H,8,19H2,1H3