[6-aminocarbonyl-3-cyano-2-(2-nitrooxyethyl)phenyl] 1,3-thiazolidine-4-carboxylate

Systemtic Name: [6-aminocarbonyl-3-cyano-2-(2-nitrooxyethyl)phenyl] 1,3-thiazolidine-4-carboxylate Openeye Name: [6-carbamoyl-3-cyano-2-(2-nitrooxyethyl)phenyl] thiazolidine-4-carboxylate CAS Name: 4-thiazolidinecarboxylic acid [6-carbamoyl-3-cyano-2-(2-nitrooxyethyl)phenyl] ester IUPAC Name: [6-carbamoyl-3-cyano-2-(2-nitrooxyethyl)phenyl] 1,3-thiazolidine-4-carboxylate Traditional Name: thiazolidine-4-carboxylic acid [6-carbamoyl-3-cyano-2-(2-nitrooxyethyl)phenyl] ester Formula: C14H14N4O6S MolecularWeight: 366.34916

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCS1)C(=O)OC2=C(C=CC(=C2CCO[N+](=O)[O-])C#N)C(=O)N

Isomeric SMILES

C1C(NCS1)C(=O)OC2=C(C=CC(=C2CCO[N+](=O)[O-])C#N)C(=O)N

InChI

InChI=1S/C14H14N4O6S/c15-5-8-1-2-10(13(16)19)12(9(8)3-4-23-18(21)22)24-14(20)11-6-25-7-17-11/h1-2,11,17H,3-4,6-7H2,(H2,16,19)