[4-(5-propylpyridin-2-yl)phenyl] 3-nitrobenzoate

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

Isomeric SMILES

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

InChI

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