[(1S,2R,3R,4R)-2-acetyloxy-5-cyano-3-methyl-1,3,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate

Systemtic Name: [(1S,2R,3R,4R)-2-acetyloxy-5-cyano-3-methyl-1,3,7-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate Openeye Name: [(1S,2R,3R,4R)-2-acetoxy-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(1S,2R,3R,4R)-2-acetyloxy-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ester IUPAC Name: [(1S,2R,3R,4R)-2-acetyloxy-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1S,2R,3R,4R)-2-acetoxy-5-cyano-1,3,7-trihydroxy-6,11-diketo-3-methyl-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ester Formula: C24H22N2O9 MolecularWeight: 482.43948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1C2=C(C(C(C1(C)O)OC(=O)C)O)C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O

Isomeric SMILES

CC(C)C(=O)O[C@@H]1C2=C([C@@H]([C@H]([C@]1(C)O)OC(=O)C)O)C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O

InChI

InChI=1S/C24H22N2O9/c1-9(2)23(32)35-21-17-15(20(31)22(24(21,4)33)34-10(3)27)14-16(26(17)8-25)19(30)13-11(18(14)29)6-5-7-12(13)28/h5-7,9,20-22,28,31,33H,1-4H3/t20-,21+,22+,24+/m0/s1