methyl (5E)-2-methyl-5-nitroimino-4-oxidanylidene-1-phenyl-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=N[N+](=O)[O-])N1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)/C(=N\[N+](=O)[O-])/N1C2=CC=CC=C2)C(=O)OC

InChI

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