2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyliminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyliminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyliminomethyl]-4-nitro-phenolate Formula: C19H19N2O5- MolecularWeight: 355.36456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H20N2O5/c1-3-25-18-8-13-6-12(2)26-19(13)9-15(18)11-20-10-14-7-16(21(23)24)4-5-17(14)22/h4-5,7-10,12,22H,3,6,11H2,1-2H3/p-1/t12-/m0/s1