methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C20H20N4O6/c1-11-14-7-5-6-8-15(14)21-16(18(11)20(26)29-4)10-30-17(25)9-23-13(3)19(24(27)28)12(2)22-23/h5-8H,9-10H2,1-4H3