[1-(4-bromophenyl)-2-methyl-3-(phenylcarbonyl)indol-5-yl] 3-nitrobenzoate

Systemtic Name: [1-(4-bromophenyl)-2-methyl-3-(phenylcarbonyl)indol-5-yl] 3-nitrobenzoate Openeye Name: [3-benzoyl-1-(4-bromophenyl)-2-methyl-indol-5-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-benzoyl-1-(4-bromophenyl)-2-methyl-5-indolyl] ester IUPAC Name: [3-benzoyl-1-(4-bromophenyl)-2-methylindol-5-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-benzoyl-1-(4-bromophenyl)-2-methyl-indol-5-yl] ester Formula: C29H19BrN2O5 MolecularWeight: 555.37556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)Br)C=CC(=C2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)Br)C=CC(=C2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H19BrN2O5/c1-18-27(28(33)19-6-3-2-4-7-19)25-17-24(37-29(34)20-8-5-9-23(16-20)32(35)36)14-15-26(25)31(18)22-12-10-21(30)11-13-22/h2-17H,1H3