3-cyano-3-(3-nitrophenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-cyano-3-(3-nitrophenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-cyano-3-(3-nitrophenyl)-2-oxo-propanoic acid CAS Name: 3-cyano-3-(3-nitrophenyl)-2-oxopropanoic acid IUPAC Name: 3-cyano-3-(3-nitrophenyl)-2-oxopropanoic acid Traditional Name: 3-cyano-2-keto-3-(3-nitrophenyl)propionic acid Formula: C10H6N2O5 MolecularWeight: 234.16504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6N2O5/c11-5-8(9(13)10(14)15)6-2-1-3-7(4-6)12(16)17/h1-4,8H,(H,14,15)