2-[2,6,6-trimethyl-1-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-5,7-dihydroindol-3-yl]ethanoic acid

Systemtic Name: 2-[2,6,6-trimethyl-1-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-5,7-dihydroindol-3-yl]ethanoic acid Openeye Name: 2-[2,6,6-trimethyl-1-(2-methyl-5-nitro-phenyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid CAS Name: 2-[2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid IUPAC Name: 2-[2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid Traditional Name: 2-[4-keto-2,6,6-trimethyl-1-(2-methyl-5-nitro-phenyl)-5,7-dihydroindol-3-yl]acetic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=C(C3=C2CC(CC3=O)(C)C)CC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=C(C3=C2CC(CC3=O)(C)C)CC(=O)O)C

InChI

InChI=1S/C20H22N2O5/c1-11-5-6-13(22(26)27)7-15(11)21-12(2)14(8-18(24)25)19-16(21)9-20(3,4)10-17(19)23/h5-7H,8-10H2,1-4H3,(H,24,25)