3-(4-chlorophenyl)-2-(nitromethyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-(nitromethyl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-(nitromethyl)-3-oxo-propanoic acid CAS Name: 3-(4-chlorophenyl)-2-(nitromethyl)-3-oxopropanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-(nitromethyl)-3-oxopropanoic acid Traditional Name: 3-(4-chlorophenyl)-3-keto-2-(nitromethyl)propionic acid Formula: C10H8ClNO5 MolecularWeight: 257.62722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(C[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(C[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C10H8ClNO5/c11-7-3-1-6(2-4-7)9(13)8(10(14)15)5-12(16)17/h1-4,8H,5H2,(H,14,15)