trideuteriomethyl 3,6-bis(oxidanylidene)-2,5-bis(phenylazanyl)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: trideuteriomethyl 3,6-bis(oxidanylidene)-2,5-bis(phenylazanyl)cyclohexa-1,4-diene-1-carboxylate Openeye Name: trideuteriomethyl 2,5-dianilino-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 2,5-dianilino-3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid trideuteriomethyl ester IUPAC Name: trideuteriomethyl 2,5-dianilino-3,6-dioxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 2,5-dianilino-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid trideuteriomethyl ester Formula: C20H16N2O4 MolecularWeight: 351.370525

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)C=C(C1=O)NC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

[2H]C([2H])([2H])OC(=O)C1=C(C(=O)C=C(C1=O)NC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O4/c1-26-20(25)17-18(22-14-10-6-3-7-11-14)16(23)12-15(19(17)24)21-13-8-4-2-5-9-13/h2-12,21-22H,1H3/i1D3