O4-methyl O2-[(2-nitrophenyl)methyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[(2-nitrophenyl)methyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[(2-nitrophenyl)methyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[(2-nitrophenyl)methyl] ester IUPAC Name: 4-O-methyl 2-O-[(2-nitrophenyl)methyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-(2-nitrobenzyl) ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C17H18N2O6/c1-4-12-14(16(20)24-3)10(2)15(18-12)17(21)25-9-11-7-5-6-8-13(11)19(22)23/h5-8,18H,4,9H2,1-3H3