methyl 3-azanyl-2,4-dicyano-5,6-bis(4-ethylphenyl)benzoate

Systemtic Name: methyl 3-azanyl-2,4-dicyano-5,6-bis(4-ethylphenyl)benzoate Openeye Name: methyl 3-amino-2,4-dicyano-5,6-bis(4-ethylphenyl)benzoate CAS Name: 3-amino-2,4-dicyano-5,6-bis(4-ethylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-2,4-dicyano-5,6-bis(4-ethylphenyl)benzoate Traditional Name: 3-amino-2,4-dicyano-5,6-bis(4-ethylphenyl)benzoic acid methyl ester Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)CC)C(=O)OC)C#N)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=C(C=C3)CC)C(=O)OC)C#N)N)C#N

InChI

InChI=1S/C26H23N3O2/c1-4-16-6-10-18(11-7-16)22-20(14-27)25(29)21(15-28)24(26(30)31-3)23(22)19-12-8-17(5-2)9-13-19/h6-13H,4-5,29H2,1-3H3