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(phenylmethyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

(phenylmethyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name:(phenylmethyl) 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate
Openeye Name:benzyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate
CAS Name:7-nitro-2,5-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (phenylmethyl) ester
IUPAC Name:benzyl 7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylate
Traditional Name:7-nitro-2,5-bis(trifluoromethyl)benzimidazole-1-carboxylic acid benzyl ester
Formula: C17H9F6N3O4
MolecularWeight: 433.261479
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)N=C2C(F)(F)F


InChI

InChI=1S/C17H9F6N3O4/c18-16(19,20)10-6-11-13(12(7-10)26(28)29)25(14(24-11)17(21,22)23)15(27)30-8-9-4-2-1-3-5-9/h1-7H,8H2


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