(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-bromophenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-[(3-bromobenzoyl)amino]acetate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]acetic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-[(3-bromobenzoyl)amino]acetate Traditional Name: 2-[(3-bromobenzoyl)amino]acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H17BrClNO5 MolecularWeight: 478.72038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=CC(=CC=C3)Br)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C21H17BrClNO5/c1-2-12-7-18-16(9-17(12)23)14(8-19(25)29-18)11-28-20(26)10-24-21(27)13-4-3-5-15(22)6-13/h3-9H,2,10-11H2,1H3,(H,24,27)