4-[(E)-2-(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyano-ethenyl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyano-ethenyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyano-vinyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyanoethenyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-cyano-vinyl]-2-ethoxy-6-nitro-phenolate Formula: C17H11BrN5O4- MolecularWeight: 429.20434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C2=NC3=NC=C(C=C3N2)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C2=NC3=NC=C(C=C3N2)Br

InChI

InChI=1S/C17H12BrN5O4/c1-2-27-14-5-9(4-13(15(14)24)23(25)26)3-10(7-19)16-21-12-6-11(18)8-20-17(12)22-16/h3-6,8,24H,2H2,1H3,(H,20,21,22)/p-1/b10-3+