[3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3,6-bis(chloranyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3,6-dichloro-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid (3,6-dichloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3,6-dichloro-4-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid (3,6-dichloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H17Cl2NO6 MolecularWeight: 450.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H17Cl2NO6/c1-11-14-8-15(22)17(9-16(14)29-20(26)18(11)23)30-19(25)12(2)24-21(27)28-10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,24,27)