ethyl 1-(2-hydroxyethyloxymethyl)-4-nitro-2,5-diphenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(2-hydroxyethyloxymethyl)-4-nitro-2,5-diphenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(2-hydroxyethoxymethyl)-4-nitro-2,5-diphenyl-pyrrole-3-carboxylate CAS Name: 1-(2-hydroxyethoxymethyl)-4-nitro-2,5-diphenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxyethoxymethyl)-4-nitro-2,5-diphenylpyrrole-3-carboxylate Traditional Name: 1-(2-hydroxyethoxymethyl)-4-nitro-2,5-diphenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-2-30-22(26)18-19(16-9-5-3-6-10-16)23(15-29-14-13-25)20(21(18)24(27)28)17-11-7-4-8-12-17/h3-12,25H,2,13-15H2,1H3