[4-nitro-2-[(2-oxidanylidene-2-prop-2-enoxy-ethoxy)methyl]phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate

Systemtic Name: [4-nitro-2-[(2-oxidanylidene-2-prop-2-enoxy-ethoxy)methyl]phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Openeye Name: [2-[(2-allyloxy-2-oxo-ethoxy)methyl]-4-nitro-phenyl]methyl 2-thioxopyrrolidine-1-carboxylate CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid [4-nitro-2-[(2-oxo-2-prop-2-enoxyethoxy)methyl]phenyl]methyl ester IUPAC Name: [4-nitro-2-[(2-oxo-2-prop-2-enoxyethoxy)methyl]phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-thioxopyrrolidine-1-carboxylic acid [2-[(2-allyloxy-2-keto-ethoxy)methyl]-4-nitro-benzyl] ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)COCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

Isomeric SMILES

C=CCOC(=O)COCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S

InChI

InChI=1S/C18H20N2O7S/c1-2-8-26-17(21)12-25-10-14-9-15(20(23)24)6-5-13(14)11-27-18(22)19-7-3-4-16(19)28/h2,5-6,9H,1,3-4,7-8,10-12H2