(4-nitrophenyl) 4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate Openeye Name: (4-nitrophenyl) 3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-indole-1-carboxylate CAS Name: 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-1-indolecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoroindole-1-carboxylate Traditional Name: 3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-4-fluoro-indole-1-carboxylic acid (4-nitrophenyl) ester Formula: C28H21FN4O7 MolecularWeight: 544.487343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)C(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)C(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21FN4O7/c29-22-7-4-8-23-24(22)21(17-32(23)28(37)40-20-11-9-19(10-12-20)33(38)39)25(34)27(36)31-15-13-30(14-16-31)26(35)18-5-2-1-3-6-18/h1-12,17H,13-16H2