1-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-(diphenylmethyl)urea

Systemtic Name: 1-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-(diphenylmethyl)urea Openeye Name: 1-benzhydryl-3-[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]urea CAS Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-(diphenylmethyl)urea IUPAC Name: 1-benzhydryl-3-[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]urea Traditional Name: 1-benzhydryl-3-[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]urea Formula: C25H20BrClN2O4 MolecularWeight: 527.7943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OCCBr)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OCCBr)Cl

InChI

InChI=1S/C25H20BrClN2O4/c26-13-14-32-24-21(27)19-12-11-18(15-20(19)23(30)33-24)28-25(31)29-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,22H,13-14H2,(H2,28,29,31)