[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN2O5/c1-10-17(13-5-3-4-6-15(13)21-10)18(23)11(2)27-19(24)12-7-8-14(20)16(9-12)22(25)26/h3-9,11,21H,1-2H3