2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromene-6-carboxylic acid

Systemtic Name: 2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromene-6-carboxylic acid Openeye Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chromane-6-carboxylic acid CAS Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromene-6-carboxylic acid Traditional Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-carboxylic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C(=C2)C(=O)O)[N+](=O)[O-])NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=C(C(=C2)C(=O)O)[N+](=O)[O-])NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H22N2O6/c1-20(2)18(23)17(21-9-8-12-6-4-3-5-7-12)14-10-13(19(24)25)15(22(26)27)11-16(14)28-20/h3-7,10-11,17-18,21,23H,8-9H2,1-2H3,(H,24,25)