4-(2-methylphenyl)-4-[2-nitro-5-(thiophen-3-ylmethoxy)phenoxy]butanoate

Systemtic Name: 4-(2-methylphenyl)-4-[2-nitro-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-[2-nitro-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-(2-methylphenyl)-4-[2-nitro-5-(3-thiophenylmethoxy)phenoxy]butanoate IUPAC Name: 4-(2-methylphenyl)-4-[2-nitro-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-[2-nitro-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyrate Formula: C22H20NO6S- MolecularWeight: 426.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21NO6S/c1-15-4-2-3-5-18(15)20(8-9-22(24)25)29-21-12-17(6-7-19(21)23(26)27)28-13-16-10-11-30-14-16/h2-7,10-12,14,20H,8-9,13H2,1H3,(H,24,25)/p-1