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

Systemtic Name: dimethyl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18N4O8 MolecularWeight: 406.34682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O8/c1-27-15-13(21(25)26)9-20(19-15)5-4-14(22)18-12-7-10(16(23)28-2)6-11(8-12)17(24)29-3/h6-9H,4-5H2,1-3H3,(H,18,22)