[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H20BrNO9 MolecularWeight: 522.2995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC(=O)C)OC(=O)C)OC(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)OC(=O)C)OC(=O)C)OC(=O)C)Br

InChI

InChI=1S/C22H20BrNO9/c1-11-7-16(5-6-17(11)23)24-20(28)10-30-22(29)15-8-18(31-12(2)25)21(33-14(4)27)19(9-15)32-13(3)26/h5-9H,10H2,1-4H3,(H,24,28)