(6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C23H16ClNO7 MolecularWeight: 453.82864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

InChI

InChI=1S/C23H16ClNO7/c24-14-6-7-16-18(8-14)32-19-10-15(9-17(26)21(19)22(16)28)31-20(27)11-25-23(29)30-12-13-4-2-1-3-5-13/h1-10,26H,11-12H2,(H,25,29)