[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO3/c1-19(2,3)14-7-9-16(10-8-14)21-17(22)12-24-18(23)13-5-4-6-15(20)11-13/h4-11H,12H2,1-3H3,(H,21,22)