N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-(2-nitrophenoxy)acetamide CAS Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-(2-nitrophenoxy)acetamide Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NNC(=O)COC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N/NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O4/c1-18-8-7-9-19(14-18)25-20(16-29(28-25)21-10-3-2-4-11-21)15-26-27-24(31)17-34-23-13-6-5-12-22(23)30(32)33/h2-16H,17H2,1H3,(H,27,31)/b26-15+