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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (1-phenylpyrazol-4-yl)methyl 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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c26-21(29-15-16-13-22-24(14-16)17-6-2-1-3-7-17)19-12-18(25(27)28)8-9-20(19)23-10-4-5-11-23/h1-3,6-9,12-14H,4-5,10-11,15H2