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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4/c1-21(2)17-9-8-15(10-18(17)23(25)26)19(24)27-13-14-11-20-22(12-14)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3