1-[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[3-(3-bromanylpropoxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-(3-bromopropoxy)-4-chloro-1-oxo-isochromen-7-yl]urea CAS Name: 1-[3-(3-bromopropoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-(3-bromopropoxy)-4-chloro-1-oxoisochromen-7-yl]urea Traditional Name: 1-benzyl-3-[3-(3-bromopropoxy)-4-chloro-1-keto-isochromen-7-yl]urea Formula: C20H18BrClN2O4 MolecularWeight: 465.72492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCCBr)Cl

InChI

InChI=1S/C20H18BrClN2O4/c21-9-4-10-27-19-17(22)15-8-7-14(11-16(15)18(25)28-19)24-20(26)23-12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H2,23,24,26)