2-[(2-methylpropan-2-yl)oxy]-5-nitro-7-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[(2-methylpropan-2-yl)oxy]-5-nitro-7-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-tert-butoxy-5-nitro-7-pyrrolidin-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[(2-methylpropan-2-yl)oxy]-5-nitro-7-(1-pyrrolidinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[(2-methylpropan-2-yl)oxy]-5-nitro-7-pyrrolidin-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-tert-butoxy-5-nitro-7-pyrrolidino-benzo[de]isoquinoline-1,3-quinone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ON1C(=O)C2=C3C(=CC(=CC3=C(C=C2)N4CCCC4)[N+](=O)[O-])C1=O

Isomeric SMILES

CC(C)(C)ON1C(=O)C2=C3C(=CC(=CC3=C(C=C2)N4CCCC4)[N+](=O)[O-])C1=O

InChI

InChI=1S/C20H21N3O5/c1-20(2,3)28-22-18(24)13-6-7-16(21-8-4-5-9-21)14-10-12(23(26)27)11-15(17(13)14)19(22)25/h6-7,10-11H,4-5,8-9H2,1-3H3