N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(3-nitrophenyl)amino]ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(3-nitroanilino)acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(3-nitroanilino)acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(3-nitroanilino)acetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-(3-nitroanilino)acetamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-3-27-18-8-14-7-13(2)28-19(14)9-15(18)11-22-20(24)12-21-16-5-4-6-17(10-16)23(25)26/h4-6,8-10,13,21H,3,7,11-12H2,1-2H3,(H,22,24)/t13-/m0/s1