dimethyl (1S,2S)-3,3,4,4-tetracyano-2,9-dihydro-1H-carbazole-1,2-dicarboxylate

Systemtic Name: dimethyl (1S,2S)-3,3,4,4-tetracyano-2,9-dihydro-1H-carbazole-1,2-dicarboxylate Openeye Name: dimethyl (1S,2S)-3,3,4,4-tetracyano-2,9-dihydro-1H-carbazole-1,2-dicarboxylate CAS Name: (1S,2S)-3,3,4,4-tetracyano-2,9-dihydro-1H-carbazole-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2S)-3,3,4,4-tetracyano-2,9-dihydro-1H-carbazole-1,2-dicarboxylate Traditional Name: (1S,2S)-3,3,4,4-tetracyano-2,9-dihydro-1H-carbazole-1,2-dicarboxylic acid dimethyl ester Formula: C20H13N5O4 MolecularWeight: 387.34832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(C2=C1NC3=CC=CC=C32)(C#N)C#N)(C#N)C#N)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C(C(C2=C1NC3=CC=CC=C32)(C#N)C#N)(C#N)C#N)C(=O)OC

InChI

InChI=1S/C20H13N5O4/c1-28-17(26)13-15(18(27)29-2)20(9-23,10-24)19(7-21,8-22)14-11-5-3-4-6-12(11)25-16(13)14/h3-6,13,15,25H,1-2H3/t13-,15+/m0/s1