dimethyl 5-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N4O8 MolecularWeight: 454.38962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H18N4O8/c1-31-20(27)13-9-14(21(28)32-2)11-15(10-13)22-19(26)16-7-8-24(23-16)12-33-18-6-4-3-5-17(18)25(29)30/h3-11H,12H2,1-2H3,(H,22,26)