(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)C

InChI

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