[4-[(E)-[(5-tert-butyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-3-nitro-phenyl] ethanoate

Systemtic Name: [4-[(E)-[(5-tert-butyl-1H-pyrazol-3-yl)carbonylhydrazinylidene]methyl]-2-methoxy-3-nitro-phenyl] ethanoate Openeye Name: [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]-2-methoxy-3-nitro-phenyl] acetate CAS Name: acetic acid [4-[(E)-[[(5-tert-butyl-1H-pyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]-2-methoxy-3-nitrophenyl] ester IUPAC Name: [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-3-nitrophenyl] acetate Traditional Name: acetic acid [4-[(E)-[(5-tert-butyl-1H-pyrazole-3-carbonyl)hydrazono]methyl]-2-methoxy-3-nitro-phenyl] ester Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1)C=NNC(=O)C2=NNC(=C2)C(C)(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C(C)(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N5O6/c1-10(24)29-13-7-6-11(15(23(26)27)16(13)28-5)9-19-22-17(25)12-8-14(21-20-12)18(2,3)4/h6-9H,1-5H3,(H,20,21)(H,22,25)/b19-9+