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

Systemtic Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-4-28-22(25)21-16(3)23(14-17-8-6-5-7-9-17)15(2)20(21)18-10-12-19(13-11-18)24(26)27/h5-13H,4,14H2,1-3H3