3-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-2-methyl-1H-indole

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-2-methyl-1H-indole Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-2-methyl-1H-indole CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitropropyl]-2-methyl-1H-indole IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitropropyl]-2-methyl-1H-indole Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitro-propyl]-2-methyl-1H-indole Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC4=C(C=C3)OCO4)C(C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=CC4=C(C=C3)OCO4)C(C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4/c1-11-18(14-5-3-4-6-15(14)20-11)19(12(2)21(22)23)13-7-8-16-17(9-13)25-10-24-16/h3-9,12,19-20H,10H2,1-2H3