1-[2-[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(6,8-dibromo-2-oxo-chromen-3-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(6,8-dibromo-2-oxo-1-benzopyran-3-yl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(6,8-dibromo-2-oxochromen-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-(6,8-dibromo-2-keto-chromen-3-yl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C17H11Br3N2O4 MolecularWeight: 546.99224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)C(=O)N.[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br)C(=O)N.[Br-]

InChI

InChI=1S/C17H10Br2N2O4.BrH/c18-11-4-10-5-12(17(24)25-15(10)13(19)6-11)14(22)8-21-3-1-2-9(7-21)16(20)23;/h1-7H,8H2,(H-,20,23);1H