6-[3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenoxy]hexanoic acid

Systemtic Name: 6-[3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenoxy]hexanoic acid Openeye Name: 6-[3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenoxy]hexanoic acid CAS Name: 6-[3-(1,3-benzodioxol-5-ylamino)-4-nitrophenoxy]hexanoic acid IUPAC Name: 6-[3-(1,3-benzodioxol-5-ylamino)-4-nitrophenoxy]hexanoic acid Traditional Name: 6-[3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenoxy]hexanoic acid Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C=CC(=C3)OCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C=CC(=C3)OCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c22-19(23)4-2-1-3-9-26-14-6-7-16(21(24)25)15(11-14)20-13-5-8-17-18(10-13)28-12-27-17/h5-8,10-11,20H,1-4,9,12H2,(H,22,23)