2-methoxy-4-nitro-6-[[phenethyl-(phenylmethyl)azaniumyl]methyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[[phenethyl-(phenylmethyl)azaniumyl]methyl]phenolate Openeye Name: 2-[[benzyl(phenethyl)ammonio]methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-methoxy-4-nitro-6-[[phenethyl-(phenylmethyl)ammonio]methyl]phenolate IUPAC Name: 2-[[benzyl(phenethyl)azaniumyl]methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[benzyl(phenethyl)ammonio]methyl]-6-methoxy-4-nitro-phenolate Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C23H24N2O4/c1-29-22-15-21(25(27)28)14-20(23(22)26)17-24(16-19-10-6-3-7-11-19)13-12-18-8-4-2-5-9-18/h2-11,14-15,26H,12-13,16-17H2,1H3