ethyl 5-[(E)-hydroxyiminomethyl]-2-methyl-4-(4-nitrophenyl)-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-hydroxyiminomethyl]-2-methyl-4-(4-nitrophenyl)-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-hydroxyiminomethyl]-2-methyl-4-(4-nitrophenyl)-1-phenyl-pyrrole-3-carboxylate CAS Name: 5-[(E)-hydroxyiminomethyl]-2-methyl-4-(4-nitrophenyl)-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-hydroxyiminomethyl]-2-methyl-4-(4-nitrophenyl)-1-phenylpyrrole-3-carboxylate Traditional Name: 5-[(E)-hydroximinomethyl]-2-methyl-4-(4-nitrophenyl)-1-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C=NO)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])/C=N/O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19N3O5/c1-3-29-21(25)19-14(2)23(16-7-5-4-6-8-16)18(13-22-26)20(19)15-9-11-17(12-10-15)24(27)28/h4-13,26H,3H2,1-2H3/b22-13+