(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-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-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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