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

Systemtic Name: [2-nitro-4-(4-pentoxyphenyl)phenyl] 4-[(Z)-2-methyl-3-oxidanylidene-3-propoxy-prop-1-enoxy]benzoate Openeye Name: [2-nitro-4-(4-pentoxyphenyl)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 [2-nitro-4-(4-pentoxyphenyl)phenyl] ester IUPAC Name: [2-nitro-4-(4-pentoxyphenyl)phenyl] 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-amoxyphenyl)-2-nitro-phenyl] ester Formula: C31H33NO8 MolecularWeight: 547.59562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C31H33NO8/c1-4-6-7-19-37-26-13-8-23(9-14-26)25-12-17-29(28(20-25)32(35)36)40-31(34)24-10-15-27(16-11-24)39-21-22(3)30(33)38-18-5-2/h8-17,20-21H,4-7,18-19H2,1-3H3/b22-21-