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

Systemtic Name: methyl (4Z)-2-methyl-1-(2-methylpropyl)-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-1-isobutyl-2-methyl-4-[(3-nitrophenyl)methylene]-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-2-methyl-1-(2-methylpropyl)-4-[(3-nitrophenyl)methylidene]-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-2-methyl-1-(2-methylpropyl)-4-[(3-nitrophenyl)methylidene]-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-1-isobutyl-5-keto-2-methyl-4-(3-nitrobenzylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N1CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N1CC(C)C)C(=O)OC

InChI

InChI=1S/C18H20N2O5/c1-11(2)10-19-12(3)16(18(22)25-4)15(17(19)21)9-13-6-5-7-14(8-13)20(23)24/h5-9,11H,10H2,1-4H3/b15-9-