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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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