(1-phenylpyrazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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