2-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-6-yl]ethanoic acid

Systemtic Name: 2-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromen-6-yl]ethanoic acid Openeye Name: 2-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]acetic acid CAS Name: 2-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]acetic acid IUPAC Name: 2-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromen-6-yl]acetic acid Traditional Name: 2-[3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-yl]acetic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])CC(=O)O)NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=C(C=C2O1)[N+](=O)[O-])CC(=O)O)NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H24N2O6/c1-21(2)20(26)19(22-9-8-13-6-4-3-5-7-13)15-10-14(11-18(24)25)16(23(27)28)12-17(15)29-21/h3-7,10,12,19-20,22,26H,8-9,11H2,1-2H3,(H,24,25)