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

Systemtic Name: [3-[(4-bromophenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-cyclopentyl-azanium Openeye Name: [3-[(4-bromophenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium CAS Name: [3-[[(4-bromoanilino)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-cyclopentylammonium IUPAC Name: [3-[(4-bromophenyl)carbamoylamino]-2-hydroxychromen-4-ylidene]-cyclopentylazanium Traditional Name: [3-[(4-bromophenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-cyclopentyl-ammonium Formula: C21H21BrN3O3+ MolecularWeight: 443.31374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c22-13-9-11-15(12-10-13)24-21(27)25-19-18(23-14-5-1-2-6-14)16-7-3-4-8-17(16)28-20(19)26/h3-4,7-12,14,26H,1-2,5-6H2,(H2,24,25,27)/p+1