[3-[(4-bromanyl-2-fluoranyl-phenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium

Systemtic Name: [3-[(4-bromanyl-2-fluoranyl-phenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium Openeye Name: [3-[(4-bromo-2-fluoro-phenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium CAS Name: [3-[[(4-bromo-2-fluoroanilino)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclopentylammonium IUPAC Name: [3-[(4-bromo-2-fluorophenyl)carbamoylamino]-2-hydroxychromen-4-ylidene]-cyclopentylazanium Traditional Name: [3-[(4-bromo-2-fluoro-phenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C21H20BrFN3O3+ MolecularWeight: 461.304203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=C(C=C(C=C4)Br)F)O

Isomeric SMILES

C1CCC(C1)[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)NC4=C(C=C(C=C4)Br)F)O

InChI

InChI=1S/C21H19BrFN3O3/c22-12-9-10-16(15(23)11-12)25-21(28)26-19-18(24-13-5-1-2-6-13)14-7-3-4-8-17(14)29-20(19)27/h3-4,7-11,13,27H,1-2,5-6H2,(H2,25,26,28)/p+1