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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H20N4O5/c1-28-12-10-21-19-8-7-17(24(26)27)13-18(19)20(25)29-14-15-3-5-16(6-4-15)23-11-2-9-22-23/h2-9,11,13,21H,10,12,14H2,1H3