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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H20N4O5/c26-21(30-15-16-2-4-17(5-3-16)24-9-1-8-22-24)19-14-18(6-7-20(19)25(27)28)23-10-12-29-13-11-23/h1-9,14H,10-13,15H2