3-(4-chlorophenyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide

Systemtic Name: 3-(4-chlorophenyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Openeye Name: 3-(4-chlorophenyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide CAS Name: 3-(4-chlorophenyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)-1-indenimine oxide IUPAC Name: 3-(4-chlorophenyl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Traditional Name: 2-carbethoxy-3-(4-chlorophenyl)-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide Formula: C28H26ClNO4 MolecularWeight: 475.96334

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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=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClNO4/c1-3-33-28(31)26-25(20-11-13-21(29)14-12-20)23-16-15-22(18-24(23)27(26)30(2)32)34-17-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-16,18H,3,7,10,17H2,1-2H3/b30-27+