N-[(1S)-1-(4-nitrophenyl)-3-phenyl-prop-2-ynyl]aniline

Systemtic Name: N-[(1S)-1-(4-nitrophenyl)-3-phenyl-prop-2-ynyl]aniline Openeye Name: N-[(1S)-1-(4-nitrophenyl)-3-phenyl-prop-2-ynyl]aniline CAS Name: N-[(1S)-1-(4-nitrophenyl)-3-phenylprop-2-ynyl]aniline IUPAC Name: N-[(1S)-1-(4-nitrophenyl)-3-phenylprop-2-ynyl]aniline Traditional Name: [(1S)-1-(4-nitrophenyl)-3-phenyl-prop-2-ynyl]-phenyl-amine Formula: C21H16N2O2 MolecularWeight: 328.36394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#C[C@H](C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C21H16N2O2/c24-23(25)20-14-12-18(13-15-20)21(22-19-9-5-2-6-10-19)16-11-17-7-3-1-4-8-17/h1-10,12-15,21-22H/t21-/m1/s1