pentamethyl 5-[(4-nitrophenyl)diazenyl]cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

Systemtic Name: pentamethyl 5-[(4-nitrophenyl)diazenyl]cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate Openeye Name: pentamethyl 5-(4-nitrophenyl)azocyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate CAS Name: 5-(4-nitrophenyl)azocyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester IUPAC Name: pentamethyl 5-[(4-nitrophenyl)diazenyl]cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate Traditional Name: 5-(4-nitrophenyl)azocyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylic acid pentamethyl ester Formula: C21H19N3O12 MolecularWeight: 505.38846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(=C1C(=O)OC)C(=O)OC)(C(=O)OC)N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(C(=C1C(=O)OC)C(=O)OC)(C(=O)OC)N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H19N3O12/c1-32-16(25)12-13(17(26)33-2)15(19(28)35-4)21(20(29)36-5,14(12)18(27)34-3)23-22-10-6-8-11(9-7-10)24(30)31/h6-9H,1-5H3