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

Systemtic Name: [2-nitro-4-(4-propoxyphenyl)phenyl] 4-[(Z)-2-methyl-3-oxidanylidene-3-propoxy-prop-1-enoxy]benzoate Openeye Name: [2-nitro-4-(4-propoxyphenyl)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-propoxyphenyl)phenyl] ester IUPAC Name: [2-nitro-4-(4-propoxyphenyl)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 [2-nitro-4-(4-propoxyphenyl)phenyl] ester Formula: C29H29NO8 MolecularWeight: 519.54246

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C29H29NO8/c1-4-16-35-24-11-6-21(7-12-24)23-10-15-27(26(18-23)30(33)34)38-29(32)22-8-13-25(14-9-22)37-19-20(3)28(31)36-17-5-2/h6-15,18-19H,4-5,16-17H2,1-3H3/b20-19-