3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide CAS Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-1-indenimine oxide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-carbethoxy-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C1=[N+](C)[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C\1=C(C2=C(/C1=[N+](/C)\[O-])C=C(C=C2)OCCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H27NO6/c1-3-33-29(31)27-26(20-11-14-24-25(16-20)36-18-35-24)22-13-12-21(17-23(22)28(27)30(2)32)34-15-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-14,16-17H,3,7,10,15,18H2,1-2H3/b30-28+