(4-nitrophenyl)methyl 2-carbamimidoyl-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-carbamimidoyl-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamimidoyl-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-carbamimidoyl-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamimidoyl-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-amidino-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=N)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1C(=N)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H16N4O5/c14-12(15)11-5-10(18)6-16(11)13(19)22-7-8-1-3-9(4-2-8)17(20)21/h1-4,10-11,18H,5-7H2,(H3,14,15)