6-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC=C3C=C(C=CC3=O)[N+](=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/h4-5,7-10,12,20H,3,6,11H2,1-2H3/t12-/m0/s1