[4-(4-hexoxyphenyl)-2-nitro-phenyl] 4-[(Z)-2-methyl-3-oxidanylidene-3-propoxy-prop-1-enoxy]benzoate

Systemtic Name: [4-(4-hexoxyphenyl)-2-nitro-phenyl] 4-[(Z)-2-methyl-3-oxidanylidene-3-propoxy-prop-1-enoxy]benzoate Openeye Name: [4-(4-hexoxyphenyl)-2-nitro-phenyl] 4-[(Z)-2-methyl-3-oxo-3-propoxy-prop-1-enoxy]benzoate CAS Name: 4-[(Z)-2-methyl-3-oxo-3-propoxyprop-1-enoxy]benzoic acid [4-(4-hexoxyphenyl)-2-nitrophenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)-2-nitrophenyl] 4-[(Z)-2-methyl-3-oxo-3-propoxyprop-1-enoxy]benzoate Traditional Name: 4-[(Z)-3-keto-2-methyl-3-propoxy-prop-1-enoxy]benzoic acid [4-(4-hexoxyphenyl)-2-nitro-phenyl] ester Formula: C32H35NO8 MolecularWeight: 561.6222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC=C(C)C(=O)OCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)O/C=C(/C)\C(=O)OCCC)[N+](=O)[O-]

InChI

InChI=1S/C32H35NO8/c1-4-6-7-8-20-38-27-14-9-24(10-15-27)26-13-18-30(29(21-26)33(36)37)41-32(35)25-11-16-28(17-12-25)40-22-23(3)31(34)39-19-5-2/h9-18,21-22H,4-8,19-20H2,1-3H3/b23-22-