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

Systemtic Name: 2-[[(3-methoxy-4-prop-2-enoxy-phenyl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(4-allyloxy-3-methoxy-benzoyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3-methoxy-4-prop-2-enoxyphenyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3-methoxy-4-prop-2-enoxybenzoyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(4-allyloxy-3-methoxy-benzoyl)amino]methyl]-4-nitro-phenolate Formula: C18H17N2O6- MolecularWeight: 357.33738

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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-])OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-3-8-26-16-7-4-12(10-17(16)25-2)18(22)19-11-13-9-14(20(23)24)5-6-15(13)21/h3-7,9-10,21H,1,8,11H2,2H3,(H,19,22)/p-1