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

Systemtic Name: 2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromanyl-phenoxy]ethanoate Openeye Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-phenoxy]acetate CAS Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-5-cyclopenta[b]pyridinylidene)methyl]-2-bromophenoxy]acetate IUPAC Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromophenoxy]acetate Traditional Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-1-pyrindin-5-ylidene)methyl]-2-bromo-phenoxy]acetate Formula: C21H14BrN4O3- MolecularWeight: 450.26486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC(=C(C=C3)OCC(=O)[O-])Br)C(=C(C(=N2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC(=C(C=C3)OCC(=O)[O-])Br)C(=C(C(=N2)N)C#N)C)C#N

InChI

InChI=1S/C21H15BrN4O3/c1-10-13(5-12-3-4-17(16(22)6-12)29-9-18(27)28)19-11(2)15(8-24)21(25)26-20(19)14(10)7-23/h3-6H,9H2,1-2H3,(H2,25,26)(H,27,28)/p-1