2-nitrooxyethyl (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carboxylate

Systemtic Name: 2-nitrooxyethyl (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carboxylate Openeye Name: 2-nitrooxyethyl (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carboxylate CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carboxylate Traditional Name: (3S,4R)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-carboxylic acid 2-nitrooxyethyl ester Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)OCCO[N+](=O)[O-])N3CCCC3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(=O)OCCO[N+](=O)[O-])N3CCCC3=O)O)C

InChI

InChI=1S/C18H22N2O8/c1-18(2)16(22)15(19-7-3-4-14(19)21)12-10-11(5-6-13(12)28-18)17(23)26-8-9-27-20(24)25/h5-6,10,15-16,22H,3-4,7-9H2,1-2H3/t15-,16+/m1/s1