2-ethyl-4-[4-(2-nitrophenyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-ethyl-4-[4-(2-nitrophenyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 2-ethyl-4-[4-(2-nitrophenyl)phenyl]-4-oxo-butanoic acid CAS Name: 2-ethyl-4-[4-(2-nitrophenyl)phenyl]-4-oxobutanoic acid IUPAC Name: 2-ethyl-4-[4-(2-nitrophenyl)phenyl]-4-oxobutanoic acid Traditional Name: 2-ethyl-4-keto-4-[4-(2-nitrophenyl)phenyl]butyric acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-2-12(18(21)22)11-17(20)14-9-7-13(8-10-14)15-5-3-4-6-16(15)19(23)24/h3-10,12H,2,11H2,1H3,(H,21,22)