methyl 4-(3-azanyl-2,4-dicyano-5-methyl-phenyl)benzoate

Systemtic Name: methyl 4-(3-azanyl-2,4-dicyano-5-methyl-phenyl)benzoate Openeye Name: methyl 4-(3-amino-2,4-dicyano-5-methyl-phenyl)benzoate CAS Name: 4-(3-amino-2,4-dicyano-5-methylphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-2,4-dicyano-5-methylphenyl)benzoate Traditional Name: 4-(3-amino-2,4-dicyano-5-methyl-phenyl)benzoic acid methyl ester Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C(=O)OC)C#N)N)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=C(C=C2)C(=O)OC)C#N)N)C#N

InChI

InChI=1S/C17H13N3O2/c1-10-7-13(15(9-19)16(20)14(10)8-18)11-3-5-12(6-4-11)17(21)22-2/h3-7H,20H2,1-2H3