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

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C24H18ClNO7 MolecularWeight: 467.85522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClNO7/c25-15-6-7-17-19(10-15)33-20-12-16(11-18(27)22(20)23(17)29)32-21(28)8-9-26-24(30)31-13-14-4-2-1-3-5-14/h1-7,10-12,27H,8-9,13H2,(H,26,30)