methyl 3-(6-chloranyl-6a-oxidanyl-5-oxidanylidene-6H-indolo[2,3-a]carbazol-12-yl)propanoate

Systemtic Name: methyl 3-(6-chloranyl-6a-oxidanyl-5-oxidanylidene-6H-indolo[2,3-a]carbazol-12-yl)propanoate Openeye Name: methyl 3-(6-chloro-6a-hydroxy-5-oxo-6H-indolo[2,3-a]carbazol-12-yl)propanoate CAS Name: 3-(6-chloro-6a-hydroxy-5-oxo-6H-indolo[2,3-a]carbazol-12-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(6-chloro-6a-hydroxy-5-oxo-6H-indolo[2,3-a]carbazol-12-yl)propanoate Traditional Name: 3-(6-chloro-6a-hydroxy-5-keto-6H-indolo[2,3-a]carbazol-12-yl)propionic acid methyl ester Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2C3=C1C4=NC5=CC=CC=C5C4(C(C3=O)Cl)O

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2C3=C1C4=NC5=CC=CC=C5C4(C(C3=O)Cl)O

InChI

InChI=1S/C22H17ClN2O4/c1-29-16(26)10-11-25-15-9-5-2-6-12(15)17-18(25)21-22(28,20(23)19(17)27)13-7-3-4-8-14(13)24-21/h2-9,20,28H,10-11H2,1H3