3-azanyl-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide

Systemtic Name: 3-azanyl-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide Openeye Name: 3-amino-N-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide CAS Name: 3-amino-N-[4-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]phenyl]-1,2-benzoxazole-4-carboxamide IUPAC Name: 3-amino-N-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide Traditional Name: 3-amino-N-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]indoxazene-4-carboxamide Formula: C21H15ClFN5O3 MolecularWeight: 439.826903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)ON=C2N)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=C2C(=C1)ON=C2N)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H15ClFN5O3/c22-15-10-13(8-9-16(15)23)27-21(30)26-12-6-4-11(5-7-12)25-20(29)14-2-1-3-17-18(14)19(24)28-31-17/h1-10H,(H2,24,28)(H,25,29)(H2,26,27,30)