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

Systemtic Name: 2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-[(dimethylammonio)methyl]phenyl]methyliminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-[(dimethylammonio)methyl]phenyl]methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyliminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-[(dimethylammonio)methyl]benzyl]iminomethyl]-4-nitro-phenolate Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-19(2)12-14-6-4-3-5-13(14)10-18-11-15-9-16(20(22)23)7-8-17(15)21/h3-9,11,21H,10,12H2,1-2H3