N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-3,5-dinitro-benzamide Openeye Name: N-(6,6-dimethyl-5,7-dihydro-4H-benzofuran-4-yl)-3,5-dinitro-benzamide CAS Name: N-(6,6-dimethyl-5,7-dihydro-4H-benzofuran-4-yl)-3,5-dinitrobenzamide IUPAC Name: N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-3,5-dinitrobenzamide Traditional Name: N-(6,6-dimethyl-5,7-dihydro-4H-benzofuran-4-yl)-3,5-dinitro-benzamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)OC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(C2=C(C1)OC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O6/c1-17(2)8-14(13-3-4-26-15(13)9-17)18-16(21)10-5-11(19(22)23)7-12(6-10)20(24)25/h3-7,14H,8-9H2,1-2H3,(H,18,21)