2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-bromanyl-6-methoxy-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-methoxy-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-methoxy-phenoxy]acetate CAS Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-5-cyclopenta[b]pyridin-1-iumylidene)methyl]-2-bromo-6-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-1-pyrindin-1-ium-5-ylidene)methyl]-2-bromo-6-methoxy-phenoxy]acetate Formula: C22H17BrN4O4 MolecularWeight: 481.29878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC(=C(C(=C3)Br)OCC(=O)[O-])OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC(=C(C(=C3)Br)OCC(=O)[O-])OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C22H17BrN4O4/c1-10-13(19-11(2)15(8-25)22(26)27-20(19)14(10)7-24)4-12-5-16(23)21(17(6-12)30-3)31-9-18(28)29/h4-6H,9H2,1-3H3,(H2,26,27)(H,28,29)