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

Systemtic Name: 4-chloranyl-2-nitro-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]iminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]iminomethyl]phenolate Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O3/c19-15-9-14(18(23)17(10-15)22(24)25)11-20-16-5-3-13(4-6-16)12-21-7-1-2-8-21/h3-6,9-11,23H,1-2,7-8,12H2