2-[4-[2-azanyl-3-(2-cyanopyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]-1-nitro-guanidine hydrochloride

Systemtic Name: 2-[4-[2-azanyl-3-(2-cyanopyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]-1-nitro-guanidine hydrochloride Openeye Name: 2-[4-[2-amino-3-(2-cyanopyrrolidin-1-yl)-3-oxo-propyl]phenyl]-1-nitro-guanidine hydrochloride CAS Name: 2-[4-[2-amino-3-(2-cyano-1-pyrrolidinyl)-3-oxopropyl]phenyl]-1-nitroguanidine hydrochloride IUPAC Name: 2-[4-[2-amino-3-(2-cyanopyrrolidin-1-yl)-3-oxopropyl]phenyl]-1-nitroguanidine hydrochloride Traditional Name: 2-[4-[2-amino-3-(2-cyanopyrrolidino)-3-keto-propyl]phenyl]-1-nitro-guanidine hydrochloride Formula: C15H20ClN7O3 MolecularWeight: 381.8174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)N=C(N)N[N+](=O)[O-])N)C#N.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)N=C(N)N[N+](=O)[O-])N)C#N.Cl

InChI

InChI=1S/C15H19N7O3.ClH/c16-9-12-2-1-7-21(12)14(23)13(17)8-10-3-5-11(6-4-10)19-15(18)20-22(24)25;/h3-6,12-13H,1-2,7-8,17H2,(H3,18,19,20);1H