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

Systemtic Name: 2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidanyl-phenyl)ethenyl]-2H-indol-1-yl]ethanoic acid Openeye Name: 2-[2-[(E)-2-(2-hydroxy-5-nitro-phenyl)vinyl]-3,3-dimethyl-indolin-1-yl]acetic acid CAS Name: 2-[2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-3,3-dimethyl-2H-indol-1-yl]acetic acid IUPAC Name: 2-[2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-3,3-dimethyl-2H-indol-1-yl]acetic acid Traditional Name: 2-[2-[(E)-2-(2-hydroxy-5-nitro-phenyl)vinyl]-3,3-dimethyl-indolin-1-yl]acetic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=CC=CC=C21)CC(=O)O)C=CC3=C(C=CC(=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(C(N(C2=CC=CC=C21)CC(=O)O)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C20H20N2O5/c1-20(2)15-5-3-4-6-16(15)21(12-19(24)25)18(20)10-7-13-11-14(22(26)27)8-9-17(13)23/h3-11,18,23H,12H2,1-2H3,(H,24,25)/b10-7+