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

Systemtic Name: methyl 4-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-9-14(19(22)23)10(2)18(17-9)8-13(20)16-12-6-4-11(5-7-12)15(21)24-3/h4-7H,8H2,1-3H3,(H,16,20)