[3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl] pyridine-3-carboxylate

Systemtic Name: [3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl] pyridine-3-carboxylate Openeye Name: [3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl] ester IUPAC Name: [3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(4-chlorobenzyl)indoxazen-6-yl] ester Formula: C20H13ClN2O3 MolecularWeight: 364.78182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OC2=CC3=C(C=C2)C(=NO3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OC2=CC3=C(C=C2)C(=NO3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H13ClN2O3/c21-15-5-3-13(4-6-15)10-18-17-8-7-16(11-19(17)26-23-18)25-20(24)14-2-1-9-22-12-14/h1-9,11-12H,10H2