5-chloranyl-2-[(2-methylpropan-2-yl)oxy]-8-nitro-6-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-chloranyl-2-[(2-methylpropan-2-yl)oxy]-8-nitro-6-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-tert-butoxy-5-chloro-8-nitro-6-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 5-chloro-2-[(2-methylpropan-2-yl)oxy]-8-nitro-6-(1-pyrrolidinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-chloro-2-[(2-methylpropan-2-yl)oxy]-8-nitro-6-pyrrolidin-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-tert-butoxy-5-chloro-8-nitro-6-pyrrolidino-benzo[de]isoquinoline-1,3-quinone Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ON1C(=O)C2=CC(=C(C3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4CCCC4)Cl

Isomeric SMILES

CC(C)(C)ON1C(=O)C2=CC(=C(C3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4CCCC4)Cl

InChI

InChI=1S/C20H20ClN3O5/c1-20(2,3)29-23-18(25)13-9-11(24(27)28)8-12-16(13)14(19(23)26)10-15(21)17(12)22-6-4-5-7-22/h8-10H,4-7H2,1-3H3