dimethyl 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3-methoxy-4-nitro-pyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H16N4O8 MolecularWeight: 392.32024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H16N4O8/c1-26-14-12(20(24)25)7-19(18-14)8-13(21)17-11-5-9(15(22)27-2)4-10(6-11)16(23)28-3/h4-7H,8H2,1-3H3,(H,17,21)