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

Systemtic Name: [(1S,2R,3R,4R)-5-cyano-3-methyl-1,2,3,7-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ethanoate Openeye Name: [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate CAS Name: acetic acid [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ester IUPAC Name: [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate Traditional Name: acetic acid [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-6,11-diketo-3-methyl-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ester Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O8/c1-7(23)30-19-14-12(17(27)18(28)20(19,2)29)11-13(22(14)6-21)16(26)10-8(15(11)25)4-3-5-9(10)24/h3-5,17-19,24,27-29H,1-2H3/t17-,18+,19+,20+/m0/s1