ethyl 3,6-bis(oxidanylidene)-2,5-bis[(4-propan-2-ylphenyl)amino]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: ethyl 3,6-bis(oxidanylidene)-2,5-bis[(4-propan-2-ylphenyl)amino]cyclohexa-1,4-diene-1-carboxylate Openeye Name: ethyl 2,5-bis(4-isopropylanilino)-3,6-dioxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: 3,6-dioxo-2,5-bis(4-propan-2-ylanilino)-1-cyclohexa-1,4-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 3,6-dioxo-2,5-bis(4-propan-2-ylanilino)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 2,5-dicumidino-3,6-diketo-cyclohexa-1,4-diene-1-carboxylic acid ethyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-6-33-27(32)24-25(29-21-13-9-19(10-14-21)17(4)5)23(30)15-22(26(24)31)28-20-11-7-18(8-12-20)16(2)3/h7-17,28-29H,6H2,1-5H3