6-tert-butyl-3-(6-nitro-1H-benzimidazol-2-yl)-8-oxidanyl-chromen-2-one

Systemtic Name: 6-tert-butyl-3-(6-nitro-1H-benzimidazol-2-yl)-8-oxidanyl-chromen-2-one Openeye Name: 6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)chromen-2-one CAS Name: 6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)chromen-2-one Traditional Name: 6-tert-butyl-8-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)coumarin Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C=C(C(=O)O2)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C=C(C(=O)O2)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H17N3O5/c1-20(2,3)11-6-10-7-13(19(25)28-17(10)16(24)8-11)18-21-14-5-4-12(23(26)27)9-15(14)22-18/h4-9,24H,1-3H3,(H,21,22)