(4-pyrazol-1-ylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) 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=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

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