7-tert-butyl-2-(phenylmethyl)-9H-pyrrolo[3,4-b][1,4]benzoxazine-1,3-dione

Systemtic Name: 7-tert-butyl-2-(phenylmethyl)-9H-pyrrolo[3,4-b][1,4]benzoxazine-1,3-dione Openeye Name: 2-benzyl-7-tert-butyl-9H-pyrrolo[3,4-b][1,4]benzoxazine-1,3-dione CAS Name: 7-tert-butyl-2-(phenylmethyl)-9H-pyrrolo[3,4-b][1,4]benzoxazine-1,3-dione IUPAC Name: 2-benzyl-7-tert-butyl-9H-pyrrolo[3,4-b][1,4]benzoxazine-1,3-dione Traditional Name: 2-benzyl-7-tert-butyl-9H-pyrrolo[3,4-b][1,4]benzoxazine-1,3-quinone Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC3=C(N2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC3=C(N2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3/c1-21(2,3)14-9-10-16-15(11-14)22-17-18(26-16)20(25)23(19(17)24)12-13-7-5-4-6-8-13/h4-11,22H,12H2,1-3H3