N-(2,2-dimethyl-7-nitro-3-oxidanyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenyl-ethanamide

Systemtic Name: N-(2,2-dimethyl-7-nitro-3-oxidanyl-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenyl-ethanamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-pyrrol-1-yl-chroman-6-yl)-2-phenyl-acetamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(1-pyrrolyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-2-phenylacetamide IUPAC Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-pyrrol-1-yl-3,4-dihydrochromen-6-yl)-2-phenylacetamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-pyrrol-1-yl-chroman-6-yl)-2-phenyl-acetamide Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3)N4C=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3)N4C=CC=C4)O)C

InChI

InChI=1S/C23H23N3O5/c1-23(2)22(28)21(25-10-6-7-11-25)16-13-17(18(26(29)30)14-19(16)31-23)24-20(27)12-15-8-4-3-5-9-15/h3-11,13-14,21-22,28H,12H2,1-2H3,(H,24,27)