1-(4-hydroxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propan-1-one

Systemtic Name: 1-(4-hydroxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propan-1-one Openeye Name: 1-(4-hydroxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propan-1-one CAS Name: 1-(4-hydroxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-propanone IUPAC Name: 1-(4-hydroxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propan-1-one Traditional Name: 1-(4-hydroxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)propan-1-one Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c18-12-4-1-10(2-5-12)14(19)6-3-11-7-15-16(23-9-22-15)8-13(11)17(20)21/h1-2,4-5,7-8,18H,3,6,9H2