1-tert-butyl-3-[4-chloranyl-3-(2-methoxyethoxy)-1-oxidanylidene-isochromen-7-yl]urea

Systemtic Name: 1-tert-butyl-3-[4-chloranyl-3-(2-methoxyethoxy)-1-oxidanylidene-isochromen-7-yl]urea Openeye Name: 1-tert-butyl-3-[4-chloro-3-(2-methoxyethoxy)-1-oxo-isochromen-7-yl]urea CAS Name: 1-tert-butyl-3-[4-chloro-3-(2-methoxyethoxy)-1-oxo-2-benzopyran-7-yl]urea IUPAC Name: 1-tert-butyl-3-[4-chloro-3-(2-methoxyethoxy)-1-oxoisochromen-7-yl]urea Traditional Name: 1-tert-butyl-3-[4-chloro-1-keto-3-(2-methoxyethoxy)isochromen-7-yl]urea Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCOC)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCOC)Cl

InChI

InChI=1S/C17H21ClN2O5/c1-17(2,3)20-16(22)19-10-5-6-11-12(9-10)14(21)25-15(13(11)18)24-8-7-23-4/h5-6,9H,7-8H2,1-4H3,(H2,19,20,22)