2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C19H17N2O5- MolecularWeight: 353.34868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C19H18N2O5/c1-11-3-5-16-14(10-26-19(16)12(11)2)8-18(23)20-9-13-7-15(21(24)25)4-6-17(13)22/h3-7,10,22H,8-9H2,1-2H3,(H,20,23)/p-1