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

Systemtic Name: (3-nitrophenyl) 4-(5-propylpyridin-2-yl)benzoate Openeye Name: (3-nitrophenyl) 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid (3-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=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-2-4-15-7-12-20(22-14-15)16-8-10-17(11-9-16)21(24)27-19-6-3-5-18(13-19)23(25)26/h3,5-14H,2,4H2,1H3