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

Systemtic Name: methyl 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzoate CAS Name: 2-[[4-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]benzoate Traditional Name: 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]benzoic acid methyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5/c1-11-10-14(20(23)24)18-19(11)9-5-8-15(21)17-13-7-4-3-6-12(13)16(22)25-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)