N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-nitro-benzamide Formula: C24H19N5O3 MolecularWeight: 425.43936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H19N5O3/c1-17-7-5-8-18(13-17)23-20(16-28(27-23)21-10-3-2-4-11-21)15-25-26-24(30)19-9-6-12-22(14-19)29(31)32/h2-16H,1H3,(H,26,30)/b25-15+