[3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium

Systemtic Name: [3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium Openeye Name: [3-[(3-bromo-4-methoxy-benzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium CAS Name: [3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclopentylammonium IUPAC Name: [3-[(3-bromo-4-methoxybenzoyl)amino]-2-hydroxychromen-4-ylidene]-cyclopentylazanium Traditional Name: [3-[(3-bromo-4-methoxy-benzoyl)amino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C22H22BrN2O4+ MolecularWeight: 458.32508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O)Br

InChI

InChI=1S/C22H21BrN2O4/c1-28-18-11-10-13(12-16(18)23)21(26)25-20-19(24-14-6-2-3-7-14)15-8-4-5-9-17(15)29-22(20)27/h4-5,8-12,14,27H,2-3,6-7H2,1H3,(H,25,26)/p+1