[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H22N2O6 MolecularWeight: 422.43058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-16-12-19(17(2)24(16)13-18-8-4-3-5-9-18)21(26)14-31-23(27)15-30-22-11-7-6-10-20(22)25(28)29/h3-12H,13-15H2,1-2H3