2-[[2-(4-hydroxyphenyl)ethylazaniumyl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(4-hydroxyphenyl)ethylazaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[2-(4-hydroxyphenyl)ethylammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[2-(4-hydroxyphenyl)ethylammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[2-(4-hydroxyphenyl)ethylazaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[2-(4-hydroxyphenyl)ethylammonio]methyl]-4-nitro-phenolate Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[NH2+]CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])O

Isomeric SMILES

C1=CC(=CC=C1CC[NH2+]CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])O

InChI

InChI=1S/C15H16N2O4/c18-14-4-1-11(2-5-14)7-8-16-10-12-9-13(17(20)21)3-6-15(12)19/h1-6,9,16,18-19H,7-8,10H2