(4-nitrophenyl)methyl 2-[bis(azanyl)methylideneamino]-3-oxidanylidene-3-(pyrrolidin-1-ylamino)propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[bis(azanyl)methylideneamino]-3-oxidanylidene-3-(pyrrolidin-1-ylamino)propanoate Openeye Name: (4-nitrophenyl)methyl 2-guanidino-3-oxo-3-(pyrrolidin-1-ylamino)propanoate CAS Name: 2-(diaminomethylideneamino)-3-oxo-3-(1-pyrrolidinylamino)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(diaminomethylideneamino)-3-oxo-3-(pyrrolidin-1-ylamino)propanoate Traditional Name: 2-guanidino-3-keto-3-(pyrrolidinoamino)propionic acid (4-nitrobenzyl) ester Formula: C15H20N6O5 MolecularWeight: 364.3565

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N

Isomeric SMILES

C1CCN(C1)NC(=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N

InChI

InChI=1S/C15H20N6O5/c16-15(17)18-12(13(22)19-20-7-1-2-8-20)14(23)26-9-10-3-5-11(6-4-10)21(24)25/h3-6,12H,1-2,7-9H2,(H,19,22)(H4,16,17,18)