[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C21H16BrClN2O5 MolecularWeight: 491.71914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrClN2O5/c1-12-9-17(13(2)24(12)16-6-3-14(22)4-7-16)20(26)11-30-21(27)18-10-15(23)5-8-19(18)25(28)29/h3-10H,11H2,1-2H3