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

Systemtic Name: [4-(4-butoxyphenyl)-2-nitro-phenyl] 4-[(Z)-2-methyl-3-oxidanylidene-3-propoxy-prop-1-enoxy]benzoate Openeye Name: [4-(4-butoxyphenyl)-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-butoxyphenyl)-2-nitrophenyl] ester IUPAC Name: [4-(4-butoxyphenyl)-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-butoxyphenyl)-2-nitro-phenyl] ester Formula: C30H31NO8 MolecularWeight: 533.56904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C30H31NO8/c1-4-6-18-36-25-12-7-22(8-13-25)24-11-16-28(27(19-24)31(34)35)39-30(33)23-9-14-26(15-10-23)38-20-21(3)29(32)37-17-5-2/h7-16,19-20H,4-6,17-18H2,1-3H3/b21-20-