dimethyl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H15BrN4O7 MolecularWeight: 455.2169

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)OC

InChI

InChI=1S/C16H15BrN4O7/c1-27-15(23)9-5-10(16(24)28-2)7-11(6-9)18-13(22)3-4-20-8-12(17)14(19-20)21(25)26/h5-8H,3-4H2,1-2H3,(H,18,22)