[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-(cyanomethyl)azanium

Systemtic Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-(cyanomethyl)azanium Openeye Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furyl]methyl-(cyanomethyl)ammonium CAS Name: [5-[3,5-bis(methoxycarbonyl)phenyl]-2-furanyl]methyl-(cyanomethyl)ammonium IUPAC Name: [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-(cyanomethyl)azanium Traditional Name: cyanomethyl-[[5-(3,5-dicarbomethoxyphenyl)-2-furyl]methyl]ammonium Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]CC#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)C[NH2+]CC#N)C(=O)OC

InChI

InChI=1S/C17H16N2O5/c1-22-16(20)12-7-11(8-13(9-12)17(21)23-2)15-4-3-14(24-15)10-19-6-5-18/h3-4,7-9,19H,6,10H2,1-2H3/p+1