ethyl 5-methyl-1-[(3-nitrophenyl)methyl]-2-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-methyl-1-[(3-nitrophenyl)methyl]-2-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-methyl-1-[(3-nitrophenyl)methyl]-2-phenyl-pyrrole-3-carboxylate CAS Name: 5-methyl-1-[(3-nitrophenyl)methyl]-2-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[(3-nitrophenyl)methyl]-2-phenylpyrrole-3-carboxylate Traditional Name: 5-methyl-1-(3-nitrobenzyl)-2-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-3-27-21(24)19-12-15(2)22(20(19)17-9-5-4-6-10-17)14-16-8-7-11-18(13-16)23(25)26/h4-13H,3,14H2,1-2H3