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

Systemtic Name: 4-chloranyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)-3-nitro-benzamide Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O4/c1-9-8-23-14-4-2-3-12(15(9)14)18-16(20)10-5-6-11(17)13(7-10)19(21)22/h5-8,12H,2-4H2,1H3,(H,18,20)