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

Systemtic Name: 2-azanyl-5-nitro-3-(3-pyrrolidin-1-ylprop-1-ynyl)benzenecarbonitrile Openeye Name: 2-amino-5-nitro-3-(3-pyrrolidin-1-ylprop-1-ynyl)benzonitrile CAS Name: 2-amino-5-nitro-3-[3-(1-pyrrolidinyl)prop-1-ynyl]benzonitrile IUPAC Name: 2-amino-5-nitro-3-(3-pyrrolidin-1-ylprop-1-ynyl)benzonitrile Traditional Name: 2-amino-5-nitro-3-(3-pyrrolidinoprop-1-ynyl)benzonitrile Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC2=CC(=CC(=C2N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC#CC2=CC(=CC(=C2N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O2/c15-10-12-9-13(18(19)20)8-11(14(12)16)4-3-7-17-5-1-2-6-17/h8-9H,1-2,5-7,16H2