4-azanyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-nitro-benzamide CAS Name: 4-amino-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-nitro-benzamide Formula: C19H21N3O5 MolecularWeight: 371.38714

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-3-26-17-8-13-6-11(2)27-18(13)9-14(17)10-21-19(23)12-4-5-15(20)16(7-12)22(24)25/h4-5,7-9,11H,3,6,10,20H2,1-2H3,(H,21,23)/t11-/m0/s1