(4-nitrophenyl)methyl 4-[[bis(azanyl)methylideneamino]-pyrrolidin-1-yl-amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-[[bis(azanyl)methylideneamino]-pyrrolidin-1-yl-amino]-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-[guanidino(pyrrolidin-1-yl)amino]-4-oxo-butanoate CAS Name: 4-[(diaminomethylideneamino)-(1-pyrrolidinyl)amino]-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(diaminomethylideneamino)-pyrrolidin-1-ylamino]-4-oxobutanoate Traditional Name: 4-[guanidino(pyrrolidino)amino]-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O5/c17-16(18)19-21(20-9-1-2-10-20)14(23)7-8-15(24)27-11-12-3-5-13(6-4-12)22(25)26/h3-6H,1-2,7-11H2,(H4,17,18,19)