(4-nitrophenyl)methyl 2-[N'-(2,2-dimethoxyethyl)carbamimidoyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[N'-(2,2-dimethoxyethyl)carbamimidoyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[N'-(2,2-dimethoxyethyl)carbamimidoyl]pyrrolidine-1-carboxylate CAS Name: 2-[amino(2,2-dimethoxyethylimino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[N'-(2,2-dimethoxyethyl)carbamimidoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[N'-(2,2-dimethoxyethyl)amidino]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H24N4O6 MolecularWeight: 380.39566

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN=C(C1CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)OC

Isomeric SMILES

COC(CN=C(C1CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N)OC

InChI

InChI=1S/C17H24N4O6/c1-25-15(26-2)10-19-16(18)14-4-3-9-20(14)17(22)27-11-12-5-7-13(8-6-12)21(23)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H2,18,19)