2-nitro-5-[3-(2-propylphenoxy)propoxy]indene-1,3-dione

Systemtic Name: 2-nitro-5-[3-(2-propylphenoxy)propoxy]indene-1,3-dione Openeye Name: 2-nitro-5-[3-(2-propylphenoxy)propoxy]indane-1,3-dione CAS Name: 2-nitro-5-[3-(2-propylphenoxy)propoxy]indene-1,3-dione IUPAC Name: 2-nitro-5-[3-(2-propylphenoxy)propoxy]indene-1,3-dione Traditional Name: 2-nitro-5-[3-(2-propylphenoxy)propoxy]indane-1,3-quinone Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=CC=C1OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO6/c1-2-6-14-7-3-4-8-18(14)28-12-5-11-27-15-9-10-16-17(13-15)21(24)19(20(16)23)22(25)26/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3