4-chloranyl-2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyliminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyliminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[2-[(dimethylammonio)methyl]phenyl]methyliminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[2-[(dimethylammonio)methyl]phenyl]methyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyliminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[2-[(dimethylammonio)methyl]benzyl]iminomethyl]-6-nitro-phenolate Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O3/c1-20(2)11-13-6-4-3-5-12(13)9-19-10-14-7-15(18)8-16(17(14)22)21(23)24/h3-8,10,22H,9,11H2,1-2H3