1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-(2-methoxy-5-methyl-phenyl)urea

Systemtic Name: 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-(2-methoxy-5-methyl-phenyl)urea Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methoxy-5-methyl-phenyl)urea CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methoxy-5-methylphenyl)urea IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methoxy-5-methylphenyl)urea Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methoxy-5-methyl-phenyl)urea Formula: C16H14F3N5O6 MolecularWeight: 429.30747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14F3N5O6/c1-8-3-4-13(30-2)10(5-8)20-15(25)22-21-14-11(23(26)27)6-9(16(17,18)19)7-12(14)24(28)29/h3-7,21H,1-2H3,(H2,20,22,25)