1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-nitro-propan-1-ol

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-nitro-propan-1-ol Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-nitro-propan-1-ol CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-nitro-1-propanol IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-nitropropan-1-ol Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-nitro-propan-1-ol Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H17NO6/c1-22-13-5-2-11(3-6-13)14(9-18(20)21)17(19)12-4-7-15-16(8-12)24-10-23-15/h2-8,14,17,19H,9-10H2,1H3