(4-nitrophenyl)methyl 1-[[2-(aminocarbonylamino)ethylamino]methyl]pyrrolidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-[[2-(aminocarbonylamino)ethylamino]methyl]pyrrolidine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-[(2-ureidoethylamino)methyl]pyrrolidine-2-carboxylate CAS Name: 1-[[2-(carbamoylamino)ethylamino]methyl]-2-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-[[2-(carbamoylamino)ethylamino]methyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(2-ureidoethylamino)methyl]pyrrolidine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CNCCNC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)CNCCNC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O5/c17-16(23)19-8-7-18-11-20-9-1-2-14(20)15(22)26-10-12-3-5-13(6-4-12)21(24)25/h3-6,14,18H,1-2,7-11H2,(H3,17,19,23)