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

Systemtic Name: methyl (5E)-2-methyl-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: methyl (5E)-2-methyl-5-[(4-nitrophenyl)methylene]-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-2-methyl-5-[(4-nitrophenyl)methylidene]-4-oxo-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (5E)-2-methyl-5-[(4-nitrophenyl)methylidene]-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5E)-4-keto-2-methyl-5-(4-nitrobenzylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])N1)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/N1)C(=O)OC

InChI

InChI=1S/C14H12N2O5/c1-8-12(14(18)21-2)13(17)11(15-8)7-9-3-5-10(6-4-9)16(19)20/h3-7,15H,1-2H3/b11-7+