[4-nitro-6-(oxidanylidenemethylidene)cyclohexa-1,3-dien-1-yl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [4-nitro-6-(oxidanylidenemethylidene)cyclohexa-1,3-dien-1-yl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [4-nitro-6-(oxomethylene)cyclohexa-1,3-dien-1-yl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [4-nitro-6-(oxomethylidene)-1-cyclohexa-1,3-dienyl]methyl ester IUPAC Name: [4-nitro-6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [6-(ketomethylene)-4-nitro-cyclohexa-1,3-dien-1-yl]methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C(=O)OCC2=CC=C(CC2=C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1S)C(=O)OCC2=CC=C(CC2=C=O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c16-7-10-5-11(15(18)19)2-1-9(10)8-20-13(17)14-4-3-12(21)6-14/h1-2,12,21H,3-6,8H2