N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4-nitro-benzamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-nitro-benzamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-4-nitrobenzamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-nitro-benzamide Formula: C20H16N6O3 MolecularWeight: 388.37944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O3/c21-11-4-12-25-14-17(19(24-25)15-5-2-1-3-6-15)13-22-23-20(27)16-7-9-18(10-8-16)26(28)29/h1-3,5-10,13-14H,4,12H2,(H,23,27)/b22-13-