ethyl (5E)-5-nitroimino-4-oxidanylidene-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-5-nitroimino-4-oxidanylidene-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-nitroimino-4-oxo-1-phenyl-pyrrole-3-carboxylate CAS Name: (5E)-5-nitroimino-4-oxo-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-nitroimino-4-oxo-1-phenylpyrrole-3-carboxylate Traditional Name: (5E)-4-keto-5-nitroimino-1-phenyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=N[N+](=O)[O-])C1=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(/C(=N/[N+](=O)[O-])/C1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3O5/c1-2-21-13(18)10-8-15(9-6-4-3-5-7-9)12(11(10)17)14-16(19)20/h3-8H,2H2,1H3/b14-12+