2-azanyl-5-nitro-3-(3-piperidin-1-ylprop-1-ynyl)benzenecarbonitrile

Systemtic Name: 2-azanyl-5-nitro-3-(3-piperidin-1-ylprop-1-ynyl)benzenecarbonitrile Openeye Name: 2-amino-5-nitro-3-[3-(1-piperidyl)prop-1-ynyl]benzonitrile CAS Name: 2-amino-5-nitro-3-[3-(1-piperidinyl)prop-1-ynyl]benzonitrile IUPAC Name: 2-amino-5-nitro-3-(3-piperidin-1-ylprop-1-ynyl)benzonitrile Traditional Name: 2-amino-5-nitro-3-(3-piperidinoprop-1-ynyl)benzonitrile Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=CC(=CC(=C2N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC(=CC(=C2N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O2/c16-11-13-10-14(19(20)21)9-12(15(13)17)5-4-8-18-6-2-1-3-7-18/h9-10H,1-3,6-8,17H2