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

Systemtic Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4/c1-14-22(27(29)30)15(2)26(25-14)13-19-21(23(28)31-3)20(16-9-5-4-6-10-16)17-11-7-8-12-18(17)24-19/h4-12H,13H2,1-3H3