4-[2-[3-(dimethylamino)prop-1-ynyl]-4-(hydroxymethyl)-6-nitro-phenyl]phenol

Systemtic Name: 4-[2-[3-(dimethylamino)prop-1-ynyl]-4-(hydroxymethyl)-6-nitro-phenyl]phenol Openeye Name: 4-[2-[3-(dimethylamino)prop-1-ynyl]-4-(hydroxymethyl)-6-nitro-phenyl]phenol CAS Name: 4-[2-[3-(dimethylamino)prop-1-ynyl]-4-(hydroxymethyl)-6-nitrophenyl]phenol IUPAC Name: 4-[2-[3-(dimethylamino)prop-1-ynyl]-4-(hydroxymethyl)-6-nitrophenyl]phenol Traditional Name: 4-[2-[3-(dimethylamino)prop-1-ynyl]-4-methylol-6-nitro-phenyl]phenol Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC(=CC(=C1C2=CC=C(C=C2)O)[N+](=O)[O-])CO

Isomeric SMILES

CN(C)CC#CC1=CC(=CC(=C1C2=CC=C(C=C2)O)[N+](=O)[O-])CO

InChI

InChI=1S/C18H18N2O4/c1-19(2)9-3-4-15-10-13(12-21)11-17(20(23)24)18(15)14-5-7-16(22)8-6-14/h5-8,10-11,21-22H,9,12H2,1-2H3