N-(4-methylphenyl)-3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]aniline

Systemtic Name: N-(4-methylphenyl)-3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]aniline Openeye Name: N-[(1S)-1-methyldec-2-ynyl]-3,5-dinitro-N-(p-tolyl)aniline CAS Name: N-(4-methylphenyl)-3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]aniline IUPAC Name: N-(4-methylphenyl)-3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]aniline Traditional Name: (3,5-dinitrophenyl)-[(1S)-1-methyldec-2-ynyl]-(p-tolyl)amine Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-4-5-6-7-8-9-10-11-20(3)25(21-14-12-19(2)13-15-21)22-16-23(26(28)29)18-24(17-22)27(30)31/h12-18,20H,4-9H2,1-3H3/t20-/m0/s1