(4-nitrophenyl) 4-(5-propylpyridin-2-yl)benzoate

Systemtic Name: (4-nitrophenyl) 4-(5-propylpyridin-2-yl)benzoate Openeye Name: (4-nitrophenyl) 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid (4-nitrophenyl) ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4/c1-2-3-15-4-13-20(22-14-15)16-5-7-17(8-6-16)21(24)27-19-11-9-18(10-12-19)23(25)26/h4-14H,2-3H2,1H3