3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]-1,3-benzoxazol-2-one Formula: C19H17F3N4O4 MolecularWeight: 422.35789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3OC2=O)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3OC2=O)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O4/c20-19(21,22)13-5-6-14(16(11-13)26(28)29)24-9-7-23(8-10-24)12-25-15-3-1-2-4-17(15)30-18(25)27/h1-6,11H,7-10,12H2