(2,4,6-trinitrophenyl) 2-(benzimidazol-1-yl)propanoate

Systemtic Name: (2,4,6-trinitrophenyl) 2-(benzimidazol-1-yl)propanoate Openeye Name: (2,4,6-trinitrophenyl) 2-(benzimidazol-1-yl)propanoate CAS Name: 2-(1-benzimidazolyl)propanoic acid (2,4,6-trinitrophenyl) ester IUPAC Name: (2,4,6-trinitrophenyl) 2-(benzimidazol-1-yl)propanoate Traditional Name: 2-(benzimidazol-1-yl)propionic acid picryl ester Formula: C16H11N5O8 MolecularWeight: 401.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N2C=NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H11N5O8/c1-9(18-8-17-11-4-2-3-5-12(11)18)16(22)29-15-13(20(25)26)6-10(19(23)24)7-14(15)21(27)28/h2-9H,1H3