ethyl 4-[5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[(5-nitro-2-pyridin-1-iumyl)amino]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]-2-furyl]benzoic acid ethyl ester Formula: C19H18N3O5+ MolecularWeight: 368.36332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-2-26-19(23)14-5-3-13(4-6-14)17-9-8-16(27-17)12-21-18-10-7-15(11-20-18)22(24)25/h3-11H,2,12H2,1H3,(H,20,21)/p+1