(2S)-2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1-phenyl-butane-1,4-dione

Systemtic Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1-phenyl-butane-1,4-dione Openeye Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1-phenyl-butane-1,4-dione CAS Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1-phenylbutane-1,4-dione IUPAC Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1-phenylbutane-1,4-dione Traditional Name: (2S)-2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1-phenyl-butane-1,4-dione Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@@H](CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H17N3O4/c27-21(16-9-6-10-17(13-16)26(29)30)14-18(22(28)15-7-2-1-3-8-15)23-24-19-11-4-5-12-20(19)25-23/h1-13,18H,14H2,(H,24,25)/t18-/m1/s1