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

Systemtic Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-nitro-benzaldehyde Openeye Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-3-nitro-benzaldehyde CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-nitrobenzaldehyde Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylamino]-3-nitro-benzaldehyde Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

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