4-nitrooxybutyl 3-(2-acetyloxyphenyl)carbonyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: 4-nitrooxybutyl 3-(2-acetyloxyphenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: 4-nitrooxybutyl 3-(2-acetoxybenzoyl)thiazolidine-4-carboxylate CAS Name: 3-[(2-acetyloxyphenyl)-oxomethyl]-4-thiazolidinecarboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 3-(2-acetyloxybenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(2-acetoxybenzoyl)thiazolidine-4-carboxylic acid 4-nitrooxybutyl ester Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N2CSCC2C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N2CSCC2C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O8S/c1-12(20)27-15-7-3-2-6-13(15)16(21)18-11-28-10-14(18)17(22)25-8-4-5-9-26-19(23)24/h2-3,6-7,14H,4-5,8-11H2,1H3