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

Systemtic Name: ethyl 4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C15H15BrN4O5 MolecularWeight: 411.2074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C15H15BrN4O5/c1-3-25-15(22)10-4-6-11(7-5-10)17-12(21)8-19-9(2)13(16)14(18-19)20(23)24/h4-7H,3,8H2,1-2H3,(H,17,21)