dimethyl 2-(2-bromanyl-5H-pyrido[1,2-b]cinnolin-6-ium-11-ylidene)propanedioate

Systemtic Name: dimethyl 2-(2-bromanyl-5H-pyrido[1,2-b]cinnolin-6-ium-11-ylidene)propanedioate Openeye Name: dimethyl 2-(2-bromo-5H-pyrido[1,2-b]cinnolin-6-ium-11-ylidene)propanedioate CAS Name: 2-(2-bromo-5H-pyrido[1,2-b]cinnolin-6-ium-11-ylidene)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-bromo-5H-pyrido[1,2-b]cinnolin-6-ium-11-ylidene)propanedioate Traditional Name: 2-(2-bromo-5H-pyrido[1,2-b]cinnolin-6-ium-11-ylidene)malonic acid dimethyl ester Formula: C17H14BrN2O4+ MolecularWeight: 390.20806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1C2=CC=CC=[N+]2NC3=C1C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C(=C1C2=CC=CC=[N+]2NC3=C1C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C17H13BrN2O4/c1-23-16(21)15(17(22)24-2)14-11-9-10(18)6-7-12(11)19-20-8-4-3-5-13(14)20/h3-9H,1-2H3/p+1