2-[[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(5-methoxy-3-methyl-1-benzofuran-2-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(5-methoxy-3-methyl-benzofuran-2-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(5-methoxy-3-methyl-2-benzofuranyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(5-methoxy-3-methyl-benzofuran-2-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C18H15N2O6- MolecularWeight: 355.3215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N2O6/c1-10-14-8-13(25-2)4-6-16(14)26-17(10)18(22)19-9-11-7-12(20(23)24)3-5-15(11)21/h3-8,21H,9H2,1-2H3,(H,19,22)/p-1