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

Systemtic Name: 2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-5-cyclopenta[b]pyridin-1-iumylidene)methyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-1-pyrindin-1-ium-5-ylidene)methyl]-2-methoxy-phenoxy]acetate Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H18N4O4/c1-11-14(6-13-4-5-17(18(7-13)29-3)30-10-19(27)28)20-12(2)16(9-24)22(25)26-21(20)15(11)8-23/h4-7H,10H2,1-3H3,(H2,25,26)(H,27,28)