2-[5-azanyl-1-(5-chloranyl-2-nitro-phenyl)pyrazol-4-yl]ethanenitrile

Systemtic Name: 2-[5-azanyl-1-(5-chloranyl-2-nitro-phenyl)pyrazol-4-yl]ethanenitrile Openeye Name: 2-[5-amino-1-(5-chloro-2-nitro-phenyl)pyrazol-4-yl]acetonitrile CAS Name: 2-[5-amino-1-(5-chloro-2-nitrophenyl)-4-pyrazolyl]acetonitrile IUPAC Name: 2-[5-amino-1-(5-chloro-2-nitrophenyl)pyrazol-4-yl]acetonitrile Traditional Name: 2-[5-amino-1-(5-chloro-2-nitro-phenyl)pyrazol-4-yl]acetonitrile Formula: C11H8ClN5O2 MolecularWeight: 277.66652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N2C(=C(C=N2)CC#N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)N2C(=C(C=N2)CC#N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN5O2/c12-8-1-2-9(17(18)19)10(5-8)16-11(14)7(3-4-13)6-15-16/h1-2,5-6H,3,14H2