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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-nitro-3-oxidanyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-hydroxy-4-nitro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-hydroxy-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-hydroxy-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-hydroxy-4-nitro-benzamide Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H14N4O4/c1-9(15-18-11-4-2-3-5-12(11)19-15)17-16(22)10-6-7-13(20(23)24)14(21)8-10/h2-9,21H,1H3,(H,17,22)(H,18,19)/t9-/m0/s1