[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

Isomeric SMILES

C[C@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

InChI

InChI=1S/C23H17N3O5/c1-12(20(28)16(11-24)22-25-17-8-4-5-9-18(17)26-22)31-23(30)15-10-19(27)13-6-2-3-7-14(13)21(15)29/h2-10,12,25-27,29H,1H3/t12-/m1/s1