N-[(E)-(2-methylimino-1-nitro-2-pyrrolidin-1-yl-ethylidene)amino]-3-(trifluoromethyl)aniline

Systemtic Name: N-[(E)-(2-methylimino-1-nitro-2-pyrrolidin-1-yl-ethylidene)amino]-3-(trifluoromethyl)aniline Openeye Name: N-[(E)-(2-methylimino-1-nitro-2-pyrrolidin-1-yl-ethylidene)amino]-3-(trifluoromethyl)aniline CAS Name: N-[(E)-[2-methylimino-1-nitro-2-(1-pyrrolidinyl)ethylidene]amino]-3-(trifluoromethyl)aniline IUPAC Name: N-[(E)-(2-methylimino-1-nitro-2-pyrrolidin-1-ylethylidene)amino]-3-(trifluoromethyl)aniline Traditional Name: [(E)-(2-methylimino-1-nitro-2-pyrrolidino-ethylidene)amino]-[3-(trifluoromethyl)phenyl]amine Formula: C14H16F3N5O2 MolecularWeight: 343.30435

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C(=NNC1=CC=CC(=C1)C(F)(F)F)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CN=C(/C(=N\NC1=CC=CC(=C1)C(F)(F)F)/[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C14H16F3N5O2/c1-18-12(21-7-2-3-8-21)13(22(23)24)20-19-11-6-4-5-10(9-11)14(15,16)17/h4-6,9,19H,2-3,7-8H2,1H3/b18-12?,20-13+