N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(4-nitrophenyl)piperazino]ethyl]-3H-benzimidazole-5-carboxamide Formula: C21H22N6O5 MolecularWeight: 438.43658

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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=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H22N6O5/c28-12-19(24-20(29)14-1-6-17-18(11-14)23-13-22-17)21(30)26-9-7-25(8-10-26)15-2-4-16(5-3-15)27(31)32/h1-6,11,13,19,28H,7-10,12H2,(H,22,23)(H,24,29)/t19-/m0/s1