[(1Z)-1-phenyl-3-(phenylcarbonyl)hexa-1,5-dien-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(1Z)-1-phenyl-3-(phenylcarbonyl)hexa-1,5-dien-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1Z)-2-benzoyl-1-benzylidene-pent-4-enyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1Z)-3-benzoyl-1-phenylhexa-1,5-dien-2-yl] ester IUPAC Name: [(1Z)-3-benzoyl-1-phenylhexa-1,5-dien-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1Z)-1-benzal-2-benzoyl-pent-4-enyl] ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=CC1=CC=CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O7/c1-2-9-23(25(29)19-12-7-4-8-13-19)24(14-18-10-5-3-6-11-18)35-26(30)20-15-21(27(31)32)17-22(16-20)28(33)34/h2-8,10-17,23H,1,9H2/b24-14-