methyl 4-[2-azanyl-3-cyano-6-(3,4-dichlorophenyl)pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-cyano-6-(3,4-dichlorophenyl)pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-6-(3,4-dichlorophenyl)-4-pyridyl]benzoate CAS Name: 4-[2-amino-3-cyano-6-(3,4-dichlorophenyl)-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-6-(3,4-dichlorophenyl)pyridin-4-yl]benzoate Traditional Name: 4-[2-amino-3-cyano-6-(3,4-dichlorophenyl)-4-pyridyl]benzoic acid methyl ester Formula: C20H13Cl2N3O2 MolecularWeight: 398.24212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H13Cl2N3O2/c1-27-20(26)12-4-2-11(3-5-12)14-9-18(25-19(24)15(14)10-23)13-6-7-16(21)17(22)8-13/h2-9H,1H3,(H2,24,25)