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

Systemtic Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4/c1-10-13-7-5-6-8-14(13)19-15(16(10)18(23)26-4)9-21-12(3)17(22(24)25)11(2)20-21/h5-8H,9H2,1-4H3