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

Systemtic Name: methyl 4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]benzoate Openeye Name: methyl 4-[(2-amino-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]benzoate CAS Name: 4-[(2-amino-3,7-dicyano-4,6-dimethyl-5-cyclopenta[b]pyridin-1-iumylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]benzoate Traditional Name: 4-[(2-amino-3,7-dicyano-4,6-dimethyl-1-pyrindin-1-ium-5-ylidene)methyl]benzoic acid methyl ester Formula: C21H17N4O2+ MolecularWeight: 357.38528

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16N4O2/c1-11-15(8-13-4-6-14(7-5-13)21(26)27-3)18-12(2)17(10-23)20(24)25-19(18)16(11)9-22/h4-8H,1-3H3,(H2,24,25)/p+1