O1-methyl O3-[(4-pyrazol-1-ylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[(4-pyrazol-1-ylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(4-pyrazol-1-ylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[4-(1-pyrazolyl)phenyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[(4-pyrazol-1-ylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(4-pyrazol-1-ylbenzyl) ester Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H15N3O6/c1-27-18(23)14-9-15(11-17(10-14)22(25)26)19(24)28-12-13-3-5-16(6-4-13)21-8-2-7-20-21/h2-11H,12H2,1H3