1-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]urea CAS Name: [3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]urea Traditional Name: [3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]urea Formula: C19H18F3N5O4 MolecularWeight: 437.37253

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C19H18F3N5O4/c20-19(21,22)13-4-5-15(16(11-13)27(30)31)25-6-8-26(9-7-25)17(28)12-2-1-3-14(10-12)24-18(23)29/h1-5,10-11H,6-9H2,(H3,23,24,29)