(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H18BrNO5/c1-12-3-8-17-15(9-18(24)28-20(17)13(12)2)11-27-19(25)10-23-21(26)14-4-6-16(22)7-5-14/h3-9H,10-11H2,1-2H3,(H,23,26)