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

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H13ClN2O5 MolecularWeight: 372.75922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O5/c1-10(17(22)14-9-20-16-5-3-2-4-12(14)16)26-18(23)13-7-6-11(21(24)25)8-15(13)19/h2-10,20H,1H3