2-[[1,3-bis(oxidanylidene)-1-[(2-oxidanylidenebenzimidazol-4-yl)amino]butan-2-yl]diazenyl]terephthalate

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-1-[(2-oxidanylidenebenzimidazol-4-yl)amino]butan-2-yl]diazenyl]terephthalate Openeye Name: 2-[2-oxo-1-[(2-oxobenzimidazol-4-yl)carbamoyl]propyl]azoterephthalate CAS Name: 2-[1,3-dioxo-1-[(2-oxo-4-benzimidazolyl)amino]butan-2-yl]azoterephthalate IUPAC Name: 2-[[1,3-dioxo-1-[(2-oxobenzimidazol-4-yl)amino]butan-2-yl]diazenyl]terephthalate Traditional Name: 2-[2-keto-1-[(2-ketobenzimidazol-4-yl)carbamoyl]propyl]azoterephthalate Formula: C19H11N5O7-2 MolecularWeight: 421.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=CC=CC2=NC(=O)N=C21)N=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)C(C(=O)NC1=CC=CC2=NC(=O)N=C21)N=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H13N5O7/c1-8(25)14(16(26)20-11-3-2-4-12-15(11)22-19(31)21-12)24-23-13-7-9(17(27)28)5-6-10(13)18(29)30/h2-7,14H,1H3,(H,20,26)(H,27,28)(H,29,30)/p-2