5-azanyl-3-[(Z)-2-(4-chloranyl-3-nitro-phenyl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-2-(4-chloranyl-3-nitro-phenyl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(4-chloro-3-nitro-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(4-chloro-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(4-chloro-3-nitrophenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(4-chloro-3-nitro-phenyl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C15H11ClN6O3 MolecularWeight: 358.73924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C2=NN(C(=C2C#N)N)CCO)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN6O3/c16-12-2-1-9(6-13(12)22(24)25)5-10(7-17)14-11(8-18)15(19)21(20-14)3-4-23/h1-2,5-6,23H,3-4,19H2/b10-5+