5-tert-butyl-N-[(E)-1-(4-methoxy-3-nitro-phenyl)ethylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[(E)-1-(4-methoxy-3-nitro-phenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[(E)-1-(4-methoxy-3-nitro-phenyl)ethylideneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-tert-butyl-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[(E)-1-(4-methoxy-3-nitro-phenyl)ethylideneamino]-1H-pyrazole-3-carboxamide Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=C1)C(C)(C)C)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=NNC(=C1)C(C)(C)C)/C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-10(11-6-7-14(26-5)13(8-11)22(24)25)18-21-16(23)12-9-15(20-19-12)17(2,3)4/h6-9H,1-5H3,(H,19,20)(H,21,23)/b18-10+