3-(3',3'-dimethyl-6-nitro-spiro[7,8-dihydrochromene-2,2'-indole]-1'-yl)propanoic acid

Systemtic Name: 3-(3',3'-dimethyl-6-nitro-spiro[7,8-dihydrochromene-2,2'-indole]-1'-yl)propanoic acid Openeye Name: 3-(3',3'-dimethyl-6-nitro-spiro[7,8-dihydrochromene-2,2'-indoline]-1'-yl)propanoic acid CAS Name: 3-(3',3'-dimethyl-6-nitro-1'-spiro[7,8-dihydro-1-benzopyran-2,2'-indole]yl)propanoic acid IUPAC Name: 3-(3',3'-dimethyl-6-nitrospiro[7,8-dihydrochromene-2,2'-indole]-1'-yl)propanoic acid Traditional Name: 3-(3',3'-dimethyl-6-nitro-spiro[7,8-dihydrochromene-2,2'-indoline]-1'-yl)propionic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)CCC(=C4)[N+](=O)[O-])CCC(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)CCC(=C4)[N+](=O)[O-])CCC(=O)O)C

InChI

InChI=1S/C21H22N2O5/c1-20(2)16-5-3-4-6-17(16)22(12-10-19(24)25)21(20)11-9-14-13-15(23(26)27)7-8-18(14)28-21/h3-6,9,11,13H,7-8,10,12H2,1-2H3,(H,24,25)