N-[3-[(3-nitropyridin-2-yl)amino]propyl]-3-phenyl-prop-2-ynamide

Systemtic Name: N-[3-[(3-nitropyridin-2-yl)amino]propyl]-3-phenyl-prop-2-ynamide Openeye Name: N-[3-[(3-nitro-2-pyridyl)amino]propyl]-3-phenyl-prop-2-ynamide CAS Name: N-[3-[(3-nitro-2-pyridinyl)amino]propyl]-3-phenyl-2-propynamide IUPAC Name: N-[3-[(3-nitropyridin-2-yl)amino]propyl]-3-phenylprop-2-ynamide Traditional Name: N-[3-[(3-nitro-2-pyridyl)amino]propyl]-3-phenyl-propiolamide Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(=O)NCCCNC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC(=O)NCCCNC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3/c22-16(10-9-14-6-2-1-3-7-14)18-12-5-13-20-17-15(21(23)24)8-4-11-19-17/h1-4,6-8,11H,5,12-13H2,(H,18,22)(H,19,20)