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

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3-nitro-4-propan-2-yl-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-1-cyano-2-(4-isopropyl-3-nitro-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-1-cyano-2-(4-isopropyl-3-nitro-phenyl)vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O2/c1-14(2)18-9-8-15(11-20(18)28(29)30)10-16(12-23)21-19(13-24)22(25)27(26-21)17-6-4-3-5-7-17/h3-11,14H,25H2,1-2H3/b16-10+