4-[2-[(2-methylpropan-2-yl)oxy]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]-4,6-diazabicyclo[3.1.0]hexane-6-carboxylic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxy]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-6-yl]-4,6-diazabicyclo[3.1.0]hexane-6-carboxylic acid Openeye Name: 4-(2-tert-butoxy-1,3-dioxo-benzo[de]isoquinolin-6-yl)-4,6-diazabicyclo[3.1.0]hexane-6-carboxylic acid CAS Name: 4-[2-[(2-methylpropan-2-yl)oxy]-1,3-dioxo-6-benzo[de]isoquinolinyl]-4,6-diazabicyclo[3.1.0]hexane-6-carboxylic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxy]-1,3-dioxobenzo[de]isoquinolin-6-yl]-4,6-diazabicyclo[3.1.0]hexane-6-carboxylic acid Traditional Name: 4-(2-tert-butoxy-1,3-diketo-benzo[de]isoquinolin-6-yl)-4,6-diazabicyclo[3.1.0]hexane-6-carboxylic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ON1C(=O)C2=C3C(=C(C=C2)N4CCC5C4N5C(=O)O)C=CC=C3C1=O

Isomeric SMILES

CC(C)(C)ON1C(=O)C2=C3C(=C(C=C2)N4CCC5C4N5C(=O)O)C=CC=C3C1=O

InChI

InChI=1S/C21H21N3O5/c1-21(2,3)29-24-18(25)12-6-4-5-11-14(8-7-13(16(11)12)19(24)26)22-10-9-15-17(22)23(15)20(27)28/h4-8,15,17H,9-10H2,1-3H3,(H,27,28)