5,6-bis(chloranyl)-2-[(2-methylpropan-2-yl)oxy]-7-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5,6-bis(chloranyl)-2-[(2-methylpropan-2-yl)oxy]-7-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-tert-butoxy-5,6-dichloro-7-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 5,6-dichloro-2-[(2-methylpropan-2-yl)oxy]-7-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 5,6-dichloro-2-[(2-methylpropan-2-yl)oxy]-7-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-tert-butoxy-5,6-dichloro-7-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H12Cl2N2O5 MolecularWeight: 383.18288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ON1C(=O)C2=C3C(=CC(=C(C3=C(C=C2)[N+](=O)[O-])Cl)Cl)C1=O

Isomeric SMILES

CC(C)(C)ON1C(=O)C2=C3C(=CC(=C(C3=C(C=C2)[N+](=O)[O-])Cl)Cl)C1=O

InChI

InChI=1S/C16H12Cl2N2O5/c1-16(2,3)25-19-14(21)7-4-5-10(20(23)24)12-11(7)8(15(19)22)6-9(17)13(12)18/h4-6H,1-3H3