6-(4-imidazol-1-yl-4-oxidanylidene-butyl)-9-oxidanyl-pyrrolo[3,4-c]carbazole-1,3-dione

Systemtic Name: 6-(4-imidazol-1-yl-4-oxidanylidene-butyl)-9-oxidanyl-pyrrolo[3,4-c]carbazole-1,3-dione Openeye Name: 9-hydroxy-6-(4-imidazol-1-yl-4-oxo-butyl)pyrrolo[3,4-c]carbazole-1,3-dione CAS Name: 9-hydroxy-6-[4-(1-imidazolyl)-4-oxobutyl]pyrrolo[3,4-c]carbazole-1,3-dione IUPAC Name: 9-hydroxy-6-(4-imidazol-1-yl-4-oxobutyl)pyrrolo[3,4-c]carbazole-1,3-dione Traditional Name: 9-hydroxy-6-(4-imidazol-1-yl-4-keto-butyl)pyrrolo[3,4-c]carbazole-1,3-quinone Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C3=C(N2CCCC(=O)N4C=CN=C4)C=CC5=C3C(=O)NC5=O

Isomeric SMILES

C1=CC2=C(C=C1O)C3=C(N2CCCC(=O)N4C=CN=C4)C=CC5=C3C(=O)NC5=O

InChI

InChI=1S/C21H16N4O4/c26-12-3-5-15-14(10-12)18-16(6-4-13-19(18)21(29)23-20(13)28)25(15)8-1-2-17(27)24-9-7-22-11-24/h3-7,9-11,26H,1-2,8H2,(H,23,28,29)