(6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (6-chloranyl-7-methyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (6-chloro-7-methyl-4-oxo-2-phenyl-chromen-3-yl) 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid (6-chloro-7-methyl-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid (6-chloro-4-keto-7-methyl-2-phenyl-chromen-3-yl) ester Formula: C27H18ClNO6 MolecularWeight: 487.88792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H18ClNO6/c1-15-13-21-19(14-20(15)28)23(31)25(24(34-21)16-7-3-2-4-8-16)35-22(30)11-12-29-26(32)17-9-5-6-10-18(17)27(29)33/h2-10,13-14H,11-12H2,1H3