2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidanyl-phenyl)ethenyl]inden-1-yl]ethanoic acid

Systemtic Name: 2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidanyl-phenyl)ethenyl]inden-1-yl]ethanoic acid Openeye Name: 2-[2-[(E)-2-(2-hydroxy-5-nitro-phenyl)vinyl]-3,3-dimethyl-inden-1-yl]acetic acid CAS Name: 2-[2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-3,3-dimethyl-1-indenyl]acetic acid IUPAC Name: 2-[2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-3,3-dimethylinden-1-yl]acetic acid Traditional Name: 2-[2-[(E)-2-(2-hydroxy-5-nitro-phenyl)vinyl]-3,3-dimethyl-inden-1-yl]acetic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=C1C=CC3=C(C=CC(=C3)[N+](=O)[O-])O)CC(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=C1/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)CC(=O)O)C

InChI

InChI=1S/C21H19NO5/c1-21(2)17-6-4-3-5-15(17)16(12-20(24)25)18(21)9-7-13-11-14(22(26)27)8-10-19(13)23/h3-11,23H,12H2,1-2H3,(H,24,25)/b9-7+