[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl] ester Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O5/c32-25(26-21-11-5-6-12-22(21)29-27(26)19-9-3-1-4-10-19)18-36-28(33)20-13-14-23(24(17-20)31(34)35)30-15-7-2-8-16-30/h1,3-6,9-14,17,29H,2,7-8,15-16,18H2