2-[[(3-methoxy-4-phenylmethoxy-phenyl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(3-methoxy-4-phenylmethoxy-phenyl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-benzyloxy-3-methoxy-benzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3-methoxy-4-phenylmethoxyphenyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3-methoxy-4-phenylmethoxybenzoyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(4-benzoxy-3-methoxy-benzoyl)amino]methyl]-4-nitro-phenolate Formula: C22H19N2O6- MolecularWeight: 407.39606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6/c1-29-21-12-16(7-10-20(21)30-14-15-5-3-2-4-6-15)22(26)23-13-17-11-18(24(27)28)8-9-19(17)25/h2-12,25H,13-14H2,1H3,(H,23,26)/p-1