5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]-2-nitro-phenolate Openeye Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylcarbamoyl]-2-nitro-phenolate CAS Name: 5-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]-2-nitrophenolate Traditional Name: 5-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylcarbamoyl]-2-nitro-phenolate Formula: C19H19N2O6- MolecularWeight: 371.36396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H20N2O6/c1-3-26-17-8-13-6-11(2)27-18(13)9-14(17)10-20-19(23)12-4-5-15(21(24)25)16(22)7-12/h4-5,7-9,11,22H,3,6,10H2,1-2H3,(H,20,23)/p-1/t11-/m0/s1