N-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]benzamide

Systemtic Name: N-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]benzamide Openeye Name: N-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methyleneamino]benzamide CAS Name: N-[(E)-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]methylideneamino]benzamide IUPAC Name: N-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]benzamide Traditional Name: N-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzylidene]amino]benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CC=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=O)C3=CC=CC=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-14-20(26(28)29)15(2)25(24-14)13-18-11-16(9-10-19(18)30-3)12-22-23-21(27)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,27)/b22-12+