dimethyl 2-[(3-cyanophenyl)amino]-5-[(3-isocyanophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-cyanophenyl)amino]-5-[(3-isocyanophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dimethyl 2-(3-cyanoanilino)-5-(3-isocyanoanilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2-(3-cyanoanilino)-5-(3-isocyanoanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-cyanoanilino)-5-(3-isocyanoanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2-(3-cyanoanilino)-5-(3-isocyanoanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC(=C(C1)NC2=CC=CC(=C2)C#N)C(=O)OC)NC3=CC=CC(=C3)[N+]#[C-]

Isomeric SMILES

COC(=O)C1=C(CC(=C(C1)NC2=CC=CC(=C2)C#N)C(=O)OC)NC3=CC=CC(=C3)[N+]#[C-]

InChI

InChI=1S/C24H20N4O4/c1-26-16-7-5-9-18(11-16)28-22-13-19(23(29)31-2)21(12-20(22)24(30)32-3)27-17-8-4-6-15(10-17)14-25/h4-11,27-28H,12-13H2,2-3H3