ethyl 1-(2-hydroxyethyloxymethyl)-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(2-hydroxyethyloxymethyl)-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(2-hydroxyethoxymethyl)-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-(2-hydroxyethoxymethyl)-2-methyl-4-nitro-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxyethoxymethyl)-2-methyl-4-nitro-5-phenylpyrrole-3-carboxylate Traditional Name: 1-(2-hydroxyethoxymethyl)-2-methyl-4-nitro-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-3-25-17(21)14-12(2)18(11-24-10-9-20)15(16(14)19(22)23)13-7-5-4-6-8-13/h4-8,20H,3,9-11H2,1-2H3