[2-(1-azanyl-4-oxidanyl-butan-2-yl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: [2-(1-azanyl-4-oxidanyl-butan-2-yl)-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Openeye Name: [2-[1-(aminomethyl)-3-hydroxy-propyl]-4-nitro-phenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate CAS Name: 3-mercapto-1-pyrrolidinecarboxylic acid [2-(1-amino-4-hydroxybutan-2-yl)-4-nitrophenyl]methyl ester IUPAC Name: [2-(1-amino-4-hydroxybutan-2-yl)-4-nitrophenyl]methyl 3-sulfanylpyrrolidine-1-carboxylate Traditional Name: 3-mercaptopyrrolidine-1-carboxylic acid [2-[1-(aminomethyl)-3-hydroxy-propyl]-4-nitro-benzyl] ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c17-8-11(4-6-20)15-7-13(19(22)23)2-1-12(15)10-24-16(21)18-5-3-14(25)9-18/h1-2,7,11,14,20,25H,3-6,8-10,17H2