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

Systemtic Name: [3-[(4-bromanyl-3-methyl-phenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium Openeye Name: [3-[(4-bromo-3-methyl-phenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium CAS Name: [3-[[(4-bromo-3-methylanilino)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclopentylammonium IUPAC Name: [3-[(4-bromo-3-methylphenyl)carbamoylamino]-2-hydroxychromen-4-ylidene]-cyclopentylazanium Traditional Name: [3-[(4-bromo-3-methyl-phenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C22H23BrN3O3+ MolecularWeight: 457.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O)Br

InChI

InChI=1S/C22H22BrN3O3/c1-13-12-15(10-11-17(13)23)25-22(28)26-20-19(24-14-6-2-3-7-14)16-8-4-5-9-18(16)29-21(20)27/h4-5,8-12,14,27H,2-3,6-7H2,1H3,(H2,25,26,28)/p+1