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

Systemtic Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-4-nitro-benzamide Openeye Name: N-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-4-nitro-benzamide CAS Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-4-nitrobenzamide Traditional Name: N-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-4-nitro-benzamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3/c1-14-19(15(2)24(23-14)13-16-6-4-3-5-7-16)12-21-22-20(26)17-8-10-18(11-9-17)25(27)28/h3-12H,13H2,1-2H3,(H,22,26)/b21-12+