N-(2,2-dimethyl-7-nitro-3-oxidanyl-4-phenethyloxy-3,4-dihydrochromen-6-yl)ethanamide

Systemtic Name: N-(2,2-dimethyl-7-nitro-3-oxidanyl-4-phenethyloxy-3,4-dihydrochromen-6-yl)ethanamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-phenethyloxy-chroman-6-yl)acetamide CAS Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-phenethyloxy-3,4-dihydro-2H-1-benzopyran-6-yl)acetamide IUPAC Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-phenethyloxy-3,4-dihydrochromen-6-yl)acetamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-phenethyloxy-chroman-6-yl)acetamide Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)OCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)OCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-13(24)22-16-11-15-18(12-17(16)23(26)27)29-21(2,3)20(25)19(15)28-10-9-14-7-5-4-6-8-14/h4-8,11-12,19-20,25H,9-10H2,1-3H3,(H,22,24)