[2-(azanyloxymethyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [2-(azanyloxymethyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [2-(aminooxymethyl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [2-(aminooxymethyl)-4-nitrophenyl]methyl ester IUPAC Name: [2-(aminooxymethyl)-4-nitrophenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [2-(aminooxymethyl)-4-nitro-benzyl] ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1S)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])CON

Isomeric SMILES

C1CN(CC1S)C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])CON

InChI

InChI=1S/C13H17N3O5S/c14-21-8-10-5-11(16(18)19)2-1-9(10)7-20-13(17)15-4-3-12(22)6-15/h1-2,5,12,22H,3-4,6-8,14H2