5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(5-chloro-1,3-benzoxazol-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 5-(5-chloro-1,3-benzoxazol-2-yl)-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 5-(5-chloro-1,3-benzoxazol-2-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(5-chloro-1,3-benzoxazol-2-yl)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C21H12ClN3O3 MolecularWeight: 389.79128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C21H12ClN3O3/c22-14-4-6-18-17(9-14)24-19(28-18)13-3-5-15-16(8-13)21(27)25(20(15)26)11-12-2-1-7-23-10-12/h1-10H,11H2