4-tert-butyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]benzamide

Systemtic Name: 4-tert-butyl-N-[(E)-1-(5-methyl-3-nitro-pyrazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: 4-tert-butyl-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]benzamide CAS Name: 4-tert-butyl-N-[(E)-1-(5-methyl-3-nitro-1-pyrazolyl)propan-2-ylideneamino]benzamide IUPAC Name: 4-tert-butyl-N-[(E)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 4-tert-butyl-N-[(E)-[1-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)ethylidene]amino]benzamide Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=NNC(=O)C2=CC=C(C=C2)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C/C(=N/NC(=O)C2=CC=C(C=C2)C(C)(C)C)/C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-12(11-22-13(2)10-16(21-22)23(25)26)19-20-17(24)14-6-8-15(9-7-14)18(3,4)5/h6-10H,11H2,1-5H3,(H,20,24)/b19-12+