3-nitro-4-[3-(2-oxidanylidenepyridin-1-yl)propylamino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[3-(2-oxidanylidenepyridin-1-yl)propylamino]benzenecarbonitrile Openeye Name: 3-nitro-4-[3-(2-oxo-1-pyridyl)propylamino]benzonitrile CAS Name: 3-nitro-4-[3-(2-oxo-1-pyridinyl)propylamino]benzonitrile IUPAC Name: 3-nitro-4-[3-(2-oxopyridin-1-yl)propylamino]benzonitrile Traditional Name: 4-[3-(2-keto-1-pyridyl)propylamino]-3-nitro-benzonitrile Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C=C1)CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)N(C=C1)CCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O3/c16-11-12-5-6-13(14(10-12)19(21)22)17-7-3-9-18-8-2-1-4-15(18)20/h1-2,4-6,8,10,17H,3,7,9H2