methyl 4-[(E)-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylhydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylhydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylhydrazono]methyl]benzoic acid methyl ester Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NN=CC2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O5/c1-10-15(22(25)26)11(2)21(20-10)12(3)16(23)19-18-9-13-5-7-14(8-6-13)17(24)27-4/h5-9,12H,1-4H3,(H,19,23)/b18-9+