N-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3,5-dinitro-benzamide Openeye Name: N-(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)-3,5-dinitro-benzamide CAS Name: N-(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)-3,5-dinitrobenzamide IUPAC Name: N-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3,5-dinitrobenzamide Traditional Name: N-(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)-3,5-dinitro-benzamide Formula: C16H15N3O6 MolecularWeight: 345.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(CCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=COC2=C1C(CCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-9-8-25-14-4-2-3-13(15(9)14)17-16(20)10-5-11(18(21)22)7-12(6-10)19(23)24/h5-8,13H,2-4H2,1H3,(H,17,20)