[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-bromanylbenzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C21H20BrNO3/c1-21(2)17-6-4-5-7-18(17)23(3)19(21)12-16(24)13-26-20(25)14-8-10-15(22)11-9-14/h4-12H,13H2,1-3H3