3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenol

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenol Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenol CAS Name: 3-(1,3-benzodioxol-5-ylamino)-4-nitrophenol IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-4-nitrophenol Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-4-nitro-phenol Formula: C13H10N2O5 MolecularWeight: 274.2289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O5/c16-9-2-3-11(15(17)18)10(6-9)14-8-1-4-12-13(5-8)20-7-19-12/h1-6,14,16H,7H2