2-nitro-5-(3-phenoxypropoxy)indene-1,3-dione

Systemtic Name: 2-nitro-5-(3-phenoxypropoxy)indene-1,3-dione Openeye Name: 2-nitro-5-(3-phenoxypropoxy)indane-1,3-dione CAS Name: 2-nitro-5-(3-phenoxypropoxy)indene-1,3-dione IUPAC Name: 2-nitro-5-(3-phenoxypropoxy)indene-1,3-dione Traditional Name: 2-nitro-5-(3-phenoxypropoxy)indane-1,3-quinone Formula: C18H15NO6 MolecularWeight: 341.3148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO6/c20-17-14-8-7-13(11-15(14)18(21)16(17)19(22)23)25-10-4-9-24-12-5-2-1-3-6-12/h1-3,5-8,11,16H,4,9-10H2