pentamethyl 5-[(4-bromophenyl)amino]cyclopenta-2,4-diene-1,1,2,3,4-pentacarboxylate

Systemtic Name: pentamethyl 5-[(4-bromophenyl)amino]cyclopenta-2,4-diene-1,1,2,3,4-pentacarboxylate Openeye Name: pentamethyl 5-(4-bromoanilino)cyclopenta-2,4-diene-1,1,2,3,4-pentacarboxylate CAS Name: 5-(4-bromoanilino)cyclopenta-2,4-diene-1,1,2,3,4-pentacarboxylic acid pentamethyl ester IUPAC Name: pentamethyl 5-(4-bromoanilino)cyclopenta-2,4-diene-1,1,2,3,4-pentacarboxylate Traditional Name: 5-(4-bromoanilino)cyclopenta-2,4-diene-1,1,2,3,4-pentacarboxylic acid pentamethyl ester Formula: C21H20BrNO10 MolecularWeight: 526.2882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(=C1C(=O)OC)NC2=CC=C(C=C2)Br)(C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(C(=C1C(=O)OC)NC2=CC=C(C=C2)Br)(C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H20BrNO10/c1-29-16(24)12-13(17(25)30-2)15(23-11-8-6-10(22)7-9-11)21(19(27)32-4,20(28)33-5)14(12)18(26)31-3/h6-9,23H,1-5H3