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

Systemtic Name: 1-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(6-bromo-2-oxo-chromen-3-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(6-bromo-2-oxochromen-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(6-bromo-2-keto-chromen-3-yl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H12BrN2O4+ MolecularWeight: 388.19218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)C(=O)N

InChI

InChI=1S/C17H11BrN2O4/c18-12-3-4-15-11(6-12)7-13(17(23)24-15)14(21)9-20-5-1-2-10(8-20)16(19)22/h1-8H,9H2,(H-,19,22)/p+1