[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H18BrNO4 MolecularWeight: 452.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)Br

InChI

InChI=1S/C23H18BrNO4/c1-14-10-11-18(17(24)12-14)25-21(26)13-28-23(27)22-15-6-2-4-8-19(15)29-20-9-5-3-7-16(20)22/h2-12,22H,13H2,1H3,(H,25,26)