4-chloranyl-2-nitro-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyliminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]iminomethyl]phenolate Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CN=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CN=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O3/c20-17-9-16(19(24)18(10-17)23(25)26)12-21-11-14-5-1-2-6-15(14)13-22-7-3-4-8-22/h1-2,5-6,9-10,12,24H,3-4,7-8,11,13H2