N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-hydroxy-4-nitro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-hydroxy-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-hydroxy-4-nitro-benzamide Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H18N4O4/c27-20-13-15(10-11-19(20)26(29)30)22(28)25-18(12-14-6-2-1-3-7-14)21-23-16-8-4-5-9-17(16)24-21/h1-11,13,18,27H,12H2,(H,23,24)(H,25,28)/t18-/m0/s1