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

Systemtic Name: N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-indole-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(4-nitrophenyl)piperazino]ethyl]-1H-indole-2-carboxamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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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=CC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@H](CO)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5O5/c28-14-20(24-21(29)19-13-15-3-1-2-4-18(15)23-19)22(30)26-11-9-25(10-12-26)16-5-7-17(8-6-16)27(31)32/h1-8,13,20,23,28H,9-12,14H2,(H,24,29)/t20-/m0/s1