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

Systemtic Name: 2-chloroethyl N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]carbamate Openeye Name: 2-chloroethyl 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 2-chloroethyl ester IUPAC Name: 2-chloroethyl 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 2-chloroethyl ester Formula: C20H14BrClN4O3 MolecularWeight: 473.70716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC(=O)OCCCl

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC(=O)OCCCl

InChI

InChI=1S/C20H14BrClN4O3/c21-14-3-1-2-13(10-14)18-15-11-12(4-5-17(15)26-29-18)16-6-8-23-19(24-16)25-20(27)28-9-7-22/h1-6,8,10-11H,7,9H2,(H,23,24,25,27)