ethyl N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]carbamate

Systemtic Name: ethyl N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]carbamate Openeye Name: ethyl N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]carbamate CAS Name: N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]-2-pyrimidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]carbamate Traditional Name: N-[4-[3-(3-bromophenyl)anthranil-5-yl]pyrimidin-2-yl]carbamic acid ethyl ester Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC=CC(=N1)C2=CC3=C(ON=C3C=C2)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)NC1=NC=CC(=N1)C2=CC3=C(ON=C3C=C2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H15BrN4O3/c1-2-27-20(26)24-19-22-9-8-16(23-19)12-6-7-17-15(11-12)18(28-25-17)13-4-3-5-14(21)10-13/h3-11H,2H2,1H3,(H,22,23,24,26)