4-(1,3-benzodioxol-4-ylmethylamino)-3-nitro-phenol

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethylamino)-3-nitro-phenol Openeye Name: 4-(1,3-benzodioxol-4-ylmethylamino)-3-nitro-phenol CAS Name: 4-(1,3-benzodioxol-4-ylmethylamino)-3-nitrophenol IUPAC Name: 4-(1,3-benzodioxol-4-ylmethylamino)-3-nitrophenol Traditional Name: 4-(1,3-benzodioxol-4-ylmethylamino)-3-nitro-phenol Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CNC3=C(C=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CNC3=C(C=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5/c17-10-4-5-11(12(6-10)16(18)19)15-7-9-2-1-3-13-14(9)21-8-20-13/h1-6,15,17H,7-8H2