[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[(5-chloro-2-pyridyl)carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid 1-[(5-chloro-2-pyridyl)carbamoyl]propyl ester Formula: C17H14ClN3O4 MolecularWeight: 359.76376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=C3C(=CC=C2)OC=N3

Isomeric SMILES

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=C3C(=CC=C2)OC=N3

InChI

InChI=1S/C17H14ClN3O4/c1-2-12(16(22)21-14-7-6-10(18)8-19-14)25-17(23)11-4-3-5-13-15(11)20-9-24-13/h3-9,12H,2H2,1H3,(H,19,21,22)