2-[3-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 2-[3-(2,2-dicyano-1-phenylazanyl-ethenyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 2-[3-(1-anilino-2,2-dicyano-vinyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 2-[3-[(1-anilino-2,2-dicyanoethenyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-[3-(1-anilino-2,2-dicyanoethenyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 2-[3-[(1-anilino-2,2-dicyano-vinyl)thio]-2,5-diketo-pyrrolidino]benzoic acid Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2C(=O)O)SC(=C(C#N)C#N)NC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2C(=O)O)SC(=C(C#N)C#N)NC3=CC=CC=C3

InChI

InChI=1S/C21H14N4O4S/c22-11-13(12-23)19(24-14-6-2-1-3-7-14)30-17-10-18(26)25(20(17)27)16-9-5-4-8-15(16)21(28)29/h1-9,17,24H,10H2,(H,28,29)