ethyl 1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-4-nitro-2,5-diphenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-4-nitro-2,5-diphenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-4-nitro-2,5-diphenyl-pyrrole-3-carboxylate CAS Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)-4-nitro-2,5-diphenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-dihydroxypropan-2-yloxymethyl)-4-nitro-2,5-diphenylpyrrole-3-carboxylate Traditional Name: 1-[(2-hydroxy-1-methylol-ethoxy)methyl]-4-nitro-2,5-diphenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1[N+](=O)[O-])C2=CC=CC=C2)COC(CO)CO)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1[N+](=O)[O-])C2=CC=CC=C2)COC(CO)CO)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O7/c1-2-31-23(28)19-20(16-9-5-3-6-10-16)24(15-32-18(13-26)14-27)21(22(19)25(29)30)17-11-7-4-8-12-17/h3-12,18,26-27H,2,13-15H2,1H3