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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H20N4O4/c26-21(29-15-16-4-6-17(7-5-16)24-13-3-10-22-24)19-14-18(25(27)28)8-9-20(19)23-11-1-2-12-23/h3-10,13-14H,1-2,11-12,15H2