N-[(Z)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(Z)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-4-nitro-benzamide Openeye Name: N-[(Z)-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]methyleneamino]-4-nitro-benzamide CAS Name: N-[(Z)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(Z)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-4-nitrobenzamide Traditional Name: N-[(Z)-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]methyleneamino]-4-nitro-benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=N\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O3/c1-14-4-6-17(7-5-14)13-25-16(3)20(15(2)24-25)12-22-23-21(27)18-8-10-19(11-9-18)26(28)29/h4-12H,13H2,1-3H3,(H,23,27)/b22-12-