N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(4-nitrophenyl)piperazino]ethyl]cinchoninamide Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CO)NC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@H](CO)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C23H23N5O5/c29-15-21(25-22(30)19-9-10-24-20-4-2-1-3-18(19)20)23(31)27-13-11-26(12-14-27)16-5-7-17(8-6-16)28(32)33/h1-10,21,29H,11-15H2,(H,25,30)/t21-/m0/s1