(4-pyrazol-1-ylphenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OC

InChI

InChI=1S/C20H19N3O6/c1-3-28-19-12-17(23(25)26)16(11-18(19)27-2)20(24)29-13-14-5-7-15(8-6-14)22-10-4-9-21-22/h4-12H,3,13H2,1-2H3