sodium 3-nitro-4-(phenylcarbonyl)-5-[(E)-2-phenylethenyl]benzoate

Systemtic Name: sodium 3-nitro-4-(phenylcarbonyl)-5-[(E)-2-phenylethenyl]benzoate Openeye Name: sodium 4-benzoyl-3-nitro-5-[(E)-styryl]benzoate CAS Name: sodium 4-benzoyl-3-nitro-5-[(E)-2-phenylethenyl]benzoate IUPAC Name: sodium 4-benzoyl-3-nitro-5-[(E)-2-phenylethenyl]benzoate Traditional Name: sodium 4-benzoyl-3-nitro-5-[(E)-styryl]benzoate Formula: C22H14NNaO5 MolecularWeight: 395.34003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(C(=CC(=C2)C(=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)C(=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H15NO5.Na/c24-21(16-9-5-2-6-10-16)20-17(12-11-15-7-3-1-4-8-15)13-18(22(25)26)14-19(20)23(27)28;/h1-14H,(H,25,26);/q;+1/p-1/b12-11+;