[(E,2E)-3-(hydroxymethyl)-4-phenyl-2-(phenylmethylidene)but-3-enyl] 4-nitrobenzoate

Systemtic Name: [(E,2E)-3-(hydroxymethyl)-4-phenyl-2-(phenylmethylidene)but-3-enyl] 4-nitrobenzoate Openeye Name: [(E,2E)-2-benzylidene-3-(hydroxymethyl)-4-phenyl-but-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E,2E)-3-(hydroxymethyl)-4-phenyl-2-(phenylmethylene)but-3-enyl] ester IUPAC Name: [(E,2E)-2-benzylidene-3-(hydroxymethyl)-4-phenylbut-3-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E,2E)-2-benzal-3-methylol-4-phenyl-but-3-enyl] ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(CO)C(=CC2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C(/CO)\C(=C/C2=CC=CC=C2)\COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21NO5/c27-17-22(15-19-7-3-1-4-8-19)23(16-20-9-5-2-6-10-20)18-31-25(28)21-11-13-24(14-12-21)26(29)30/h1-16,27H,17-18H2/b22-15-,23-16-