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

Systemtic Name: (4E)-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxidanylidene-1H-pyrrole-3-carboxylic acid Openeye Name: (4E)-2-methyl-4-[(3-nitrophenyl)methylene]-5-oxo-1H-pyrrole-3-carboxylic acid CAS Name: (4E)-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1H-pyrrole-3-carboxylic acid IUPAC Name: (4E)-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-1H-pyrrole-3-carboxylic acid Traditional Name: (4E)-5-keto-2-methyl-4-(3-nitrobenzylidene)-2-pyrroline-3-carboxylic acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O5/c1-7-11(13(17)18)10(12(16)14-7)6-8-3-2-4-9(5-8)15(19)20/h2-6H,1H3,(H,14,16)(H,17,18)/b10-6+