[3-nitro-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [3-nitro-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [2-benzoyloxy-3-nitro-5-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl] benzoate CAS Name: benzoic acid [2-benzoyloxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] ester IUPAC Name: [2-benzoyloxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-5-[(E)-3-keto-3-phenyl-prop-1-enyl]-3-nitro-phenyl] ester Formula: C29H19NO7 MolecularWeight: 493.46366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H19NO7/c31-25(21-10-4-1-5-11-21)17-16-20-18-24(30(34)35)27(37-29(33)23-14-8-3-9-15-23)26(19-20)36-28(32)22-12-6-2-7-13-22/h1-19H/b17-16+