[4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]phenyl] ester Formula: C23H14N2O5 MolecularWeight: 398.36766

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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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H14N2O5/c24-15-19(22(26)17-5-2-1-3-6-17)13-16-9-11-21(12-10-16)30-23(27)18-7-4-8-20(14-18)25(28)29/h1-14H/b19-13+