3,5-dinitro-N-phenyl-N-[(2S)-undec-3-yn-2-yl]aniline

Systemtic Name: 3,5-dinitro-N-phenyl-N-[(2S)-undec-3-yn-2-yl]aniline Openeye Name: N-[(1S)-1-methyldec-2-ynyl]-3,5-dinitro-N-phenyl-aniline CAS Name: 3,5-dinitro-N-phenyl-N-[(2S)-undec-3-yn-2-yl]aniline IUPAC Name: 3,5-dinitro-N-phenyl-N-[(2S)-undec-3-yn-2-yl]aniline Traditional Name: (3,5-dinitrophenyl)-[(1S)-1-methyldec-2-ynyl]-phenyl-amine Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC(C)N(C1=CC=CC=C1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC#C[C@H](C)N(C1=CC=CC=C1)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4/c1-3-4-5-6-7-8-10-13-19(2)24(20-14-11-9-12-15-20)21-16-22(25(27)28)18-23(17-21)26(29)30/h9,11-12,14-19H,3-8H2,1-2H3/t19-/m0/s1