4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)aniline

Systemtic Name: 4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)aniline Openeye Name: 4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)aniline CAS Name: 4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)aniline IUPAC Name: 4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)aniline Traditional Name: [4-nitro-3-(trifluoromethyl)phenyl]-propargyl-amine Formula: C10H7F3N2O2 MolecularWeight: 244.16999

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C#CCNC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H7F3N2O2/c1-2-5-14-7-3-4-9(15(16)17)8(6-7)10(11,12)13/h1,3-4,6,14H,5H2