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

Systemtic Name: ethyl 1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)-2-methyl-4-nitro-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-dihydroxypropan-2-yloxymethyl)-2-methyl-4-nitro-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[(2-hydroxy-1-methylol-ethoxy)methyl]-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7/c1-3-26-18(23)15-12(2)19(11-27-14(9-21)10-22)16(17(15)20(24)25)13-7-5-4-6-8-13/h4-8,14,21-22H,3,9-11H2,1-2H3