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

Systemtic Name: methyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzoate CAS Name: 2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]benzoate Traditional Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]benzoic acid methyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-11-16(21(24)25)12(2)20(19-11)10-6-9-15(22)18-14-8-5-4-7-13(14)17(23)26-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,18,22)