3-cyano-3-(4-nitrophenyl)-3-phenyl-propanoic acid

Systemtic Name: 3-cyano-3-(4-nitrophenyl)-3-phenyl-propanoic acid Openeye Name: 3-cyano-3-(4-nitrophenyl)-3-phenyl-propanoic acid CAS Name: 3-cyano-3-(4-nitrophenyl)-3-phenylpropanoic acid IUPAC Name: 3-cyano-3-(4-nitrophenyl)-3-phenylpropanoic acid Traditional Name: 3-cyano-3-(4-nitrophenyl)-3-phenyl-propionic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4/c17-11-16(10-15(19)20,12-4-2-1-3-5-12)13-6-8-14(9-7-13)18(21)22/h1-9H,10H2,(H,19,20)