ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=NC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=NC=C3)C

InChI

InChI=1S/C21H21N3O4/c1-4-28-21(25)20-15(3)23(13-16-9-11-22-12-10-16)14(2)19(20)17-5-7-18(8-6-17)24(26)27/h5-12H,4,13H2,1-3H3