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

Systemtic Name: N-(4-methoxyphenyl)-3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]aniline Openeye Name: N-(4-methoxyphenyl)-N-[(1S)-1-methyldec-2-ynyl]-3,5-dinitro-aniline CAS Name: N-(4-methoxyphenyl)-3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]aniline IUPAC Name: N-(4-methoxyphenyl)-3,5-dinitro-N-[(2S)-undec-3-yn-2-yl]aniline Traditional Name: (3,5-dinitrophenyl)-(4-methoxyphenyl)-[(1S)-1-methyldec-2-ynyl]amine Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5/c1-4-5-6-7-8-9-10-11-19(2)25(20-12-14-24(32-3)15-13-20)21-16-22(26(28)29)18-23(17-21)27(30)31/h12-19H,4-9H2,1-3H3/t19-/m0/s1