N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[(S)-(1-methyl-2-imidazolyl)-phenylmethyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C18H15F3N4O2 MolecularWeight: 376.33251

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N4O2/c1-24-10-9-22-17(24)16(12-5-3-2-4-6-12)23-14-8-7-13(18(19,20)21)11-15(14)25(26)27/h2-11,16,23H,1H3/t16-/m0/s1