5-[2-(hydroxymethyl)-4-nitro-phenyl]-N,N-dimethyl-pent-4-ynamide

Systemtic Name: 5-[2-(hydroxymethyl)-4-nitro-phenyl]-N,N-dimethyl-pent-4-ynamide Openeye Name: 5-[2-(hydroxymethyl)-4-nitro-phenyl]-N,N-dimethyl-pent-4-ynamide CAS Name: 5-[2-(hydroxymethyl)-4-nitrophenyl]-N,N-dimethyl-4-pentynamide IUPAC Name: 5-[2-(hydroxymethyl)-4-nitrophenyl]-N,N-dimethylpent-4-ynamide Traditional Name: N,N-dimethyl-5-(2-methylol-4-nitro-phenyl)pent-4-ynamide Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC#CC1=C(C=C(C=C1)[N+](=O)[O-])CO

Isomeric SMILES

CN(C)C(=O)CCC#CC1=C(C=C(C=C1)[N+](=O)[O-])CO

InChI

InChI=1S/C14H16N2O4/c1-15(2)14(18)6-4-3-5-11-7-8-13(16(19)20)9-12(11)10-17/h7-9,17H,4,6,10H2,1-2H3