[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 6-bromo-2-oxo-chromene-3-carboxylate CAS Name: 6-bromo-2-oxo-1-benzopyran-3-carboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 6-bromo-2-oxochromene-3-carboxylate Traditional Name: 6-bromo-2-keto-chromene-3-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H16BrNO5 MolecularWeight: 430.24874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)C

InChI

InChI=1S/C20H16BrNO5/c1-11-5-12(2)7-15(6-11)22-18(23)10-26-19(24)16-9-13-8-14(21)3-4-17(13)27-20(16)25/h3-9H,10H2,1-2H3,(H,22,23)