[3-[(4-bromophenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium

Systemtic Name: [3-[(4-bromophenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium Openeye Name: [3-[(4-bromobenzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium CAS Name: [3-[[(4-bromophenyl)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclopentylammonium IUPAC Name: [3-[(4-bromobenzoyl)amino]-2-hydroxychromen-4-ylidene]-cyclopentylazanium Traditional Name: [3-[(4-bromobenzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C21H20BrN2O3+ MolecularWeight: 428.2991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O3/c22-14-11-9-13(10-12-14)20(25)24-19-18(23-15-5-1-2-6-15)16-7-3-4-8-17(16)27-21(19)26/h3-4,7-12,15,26H,1-2,5-6H2,(H,24,25)/p+1