N-(2,2-dimethyl-7-nitro-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)benzamide

Systemtic Name: N-(2,2-dimethyl-7-nitro-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)benzamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-pyrrolidin-1-yl-chroman-6-yl)benzamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-yl]benzamide IUPAC Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-pyrrolidin-1-yl-3,4-dihydrochromen-6-yl)benzamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-7-nitro-4-pyrrolidino-chroman-6-yl)benzamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)C3=CC=CC=C3)N4CCCC4)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)C3=CC=CC=C3)N4CCCC4)O)C

InChI

InChI=1S/C22H25N3O5/c1-22(2)20(26)19(24-10-6-7-11-24)15-12-16(17(25(28)29)13-18(15)30-22)23-21(27)14-8-4-3-5-9-14/h3-5,8-9,12-13,19-20,26H,6-7,10-11H2,1-2H3,(H,23,27)