ethyl 3-azanyl-5-[4-(3-azanyl-2,4-dicyano-5-ethoxycarbonyl-phenyl)phenyl]-2,4-dicyano-benzoate

Systemtic Name: ethyl 3-azanyl-5-[4-(3-azanyl-2,4-dicyano-5-ethoxycarbonyl-phenyl)phenyl]-2,4-dicyano-benzoate Openeye Name: ethyl 3-amino-5-[4-(3-amino-2,4-dicyano-5-ethoxycarbonyl-phenyl)phenyl]-2,4-dicyano-benzoate CAS Name: 3-amino-5-[4-(3-amino-2,4-dicyano-5-ethoxycarbonylphenyl)phenyl]-2,4-dicyanobenzoic acid ethyl ester IUPAC Name: ethyl 3-amino-5-[4-(3-amino-2,4-dicyano-5-ethoxycarbonylphenyl)phenyl]-2,4-dicyanobenzoate Traditional Name: 3-amino-5-[4-(3-amino-5-carbethoxy-2,4-dicyano-phenyl)phenyl]-2,4-dicyano-benzoic acid ethyl ester Formula: C28H20N6O4 MolecularWeight: 504.4962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3C#N)N)C#N)C(=O)OCC)C#N)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3C#N)N)C#N)C(=O)OCC)C#N)N)C#N

InChI

InChI=1S/C28H20N6O4/c1-3-37-27(35)19-9-17(21(11-29)25(33)23(19)13-31)15-5-7-16(8-6-15)18-10-20(28(36)38-4-2)24(14-32)26(34)22(18)12-30/h5-10H,3-4,33-34H2,1-2H3