N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-8-yl]ethanamide

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-8-yl]ethanamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-8-yl]acetamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-8-yl]acetamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-8-yl]acetamide Traditional Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-8-yl]acetamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC2=C1OC(C(C2NCCC3=CC=CC=C3)O)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=CC2=C1OC(C(C2NCCC3=CC=CC=C3)O)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-13(25)23-18-16(24(27)28)10-9-15-17(20(26)21(2,3)29-19(15)18)22-12-11-14-7-5-4-6-8-14/h4-10,17,20,22,26H,11-12H2,1-3H3,(H,23,25)