(4-nitrophenyl)methyl 2-[bis(azanyl)methylideneamino]-2-pyrrolidin-3-yl-ethanoate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl 2-[bis(azanyl)methylideneamino]-2-pyrrolidin-3-yl-ethanoate hydrochloride Openeye Name: (4-nitrophenyl)methyl 2-guanidino-2-pyrrolidin-3-yl-acetate hydrochloride CAS Name: 2-(diaminomethylideneamino)-2-(3-pyrrolidinyl)acetic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl 2-(diaminomethylideneamino)-2-pyrrolidin-3-ylacetate hydrochloride Traditional Name: 2-guanidino-2-pyrrolidin-3-yl-acetic acid (4-nitrobenzyl) ester hydrochloride Formula: C14H20ClN5O4 MolecularWeight: 357.7927

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N.Cl

Isomeric SMILES

C1CNCC1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N.Cl

InChI

InChI=1S/C14H19N5O4.ClH/c15-14(16)18-12(10-5-6-17-7-10)13(20)23-8-9-1-3-11(4-2-9)19(21)22;/h1-4,10,12,17H,5-8H2,(H4,15,16,18);1H