2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-bromanyl-6-ethoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-bromanyl-6-ethoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-bromo-6-ethoxy-phenoxy]acetate CAS Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-5-cyclopenta[b]pyridin-1-iumylidene)methyl]-2-bromo-6-ethoxyphenoxy]acetate IUPAC Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy]acetate Traditional Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-1-pyrindin-1-ium-5-ylidene)methyl]-2-bromo-6-ethoxy-phenoxy]acetate Formula: C23H19BrN4O4 MolecularWeight: 495.32536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=C(C3=C2C(=C(C(=[NH+]3)N)C#N)C)C#N)C)Br)OCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=C(C3=C2C(=C(C(=[NH+]3)N)C#N)C)C#N)C)Br)OCC(=O)[O-]

InChI

InChI=1S/C23H19BrN4O4/c1-4-31-18-7-13(6-17(24)22(18)32-10-19(29)30)5-14-11(2)15(8-25)21-20(14)12(3)16(9-26)23(27)28-21/h5-7H,4,10H2,1-3H3,(H2,27,28)(H,29,30)