2-[3-(4-methylphenyl)-1-morpholin-4-yl-prop-2-ynyl]-4-nitro-phenol

Systemtic Name: 2-[3-(4-methylphenyl)-1-morpholin-4-yl-prop-2-ynyl]-4-nitro-phenol Openeye Name: 2-[1-morpholino-3-(p-tolyl)prop-2-ynyl]-4-nitro-phenol CAS Name: 2-[3-(4-methylphenyl)-1-(4-morpholinyl)prop-2-ynyl]-4-nitrophenol IUPAC Name: 2-[3-(4-methylphenyl)-1-morpholin-4-ylprop-2-ynyl]-4-nitrophenol Traditional Name: 2-[1-morpholino-3-(p-tolyl)prop-2-ynyl]-4-nitro-phenol Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(C2=C(C=CC(=C2)[N+](=O)[O-])O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(C2=C(C=CC(=C2)[N+](=O)[O-])O)N3CCOCC3

InChI

InChI=1S/C20H20N2O4/c1-15-2-4-16(5-3-15)6-8-19(21-10-12-26-13-11-21)18-14-17(22(24)25)7-9-20(18)23/h2-5,7,9,14,19,23H,10-13H2,1H3