2-[3-ethyl-1,4-dimethyl-5-(2-nitrophenyl)carbonyl-pyrrol-2-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrophenyl)carbonyl-pyrrol-2-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]-2-oxo-acetic acid CAS Name: 2-[3-ethyl-1,4-dimethyl-5-[(2-nitrophenyl)-oxomethyl]-2-pyrrolyl]-2-oxoacetic acid IUPAC Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]-2-oxoacetic acid Traditional Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]-2-keto-acetic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C)C(=O)C2=CC=CC=C2[N+](=O)[O-])C)C(=O)C(=O)O

Isomeric SMILES

CCC1=C(N(C(=C1C)C(=O)C2=CC=CC=C2[N+](=O)[O-])C)C(=O)C(=O)O

InChI

InChI=1S/C17H16N2O6/c1-4-10-9(2)13(18(3)14(10)16(21)17(22)23)15(20)11-7-5-6-8-12(11)19(24)25/h5-8H,4H2,1-3H3,(H,22,23)