methyl (4E)-2-methyl-1-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl (4E)-2-methyl-1-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4E)-2-methyl-4-[(3-nitrophenyl)methylene]-5-oxo-1-(p-tolylmethyl)pyrrole-3-carboxylate CAS Name: (4E)-2-methyl-1-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)methylidene]-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-2-methyl-1-[(4-methylphenyl)methyl]-4-[(3-nitrophenyl)methylidene]-5-oxopyrrole-3-carboxylate Traditional Name: (4E)-5-keto-2-methyl-1-(4-methylbenzyl)-4-(3-nitrobenzylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC(=CC=C3)[N+](=O)[O-])C2=O)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=O)C(=O)OC)C

InChI

InChI=1S/C22H20N2O5/c1-14-7-9-16(10-8-14)13-23-15(2)20(22(26)29-3)19(21(23)25)12-17-5-4-6-18(11-17)24(27)28/h4-12H,13H2,1-3H3/b19-12+