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

Systemtic Name: ethyl (5E)-2-methyl-4-oxidanylidene-5-[[(phenylmethyl)amino]methylidene]-1H-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(benzylamino)methylene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-2-methyl-4-oxo-5-[[(phenylmethyl)amino]methylidene]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(benzylamino)methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5E)-5-[(benzylamino)methylene]-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CNCC2=CC=CC=C2)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C/NCC2=CC=CC=C2)/C1=O)C

InChI

InChI=1S/C16H18N2O3/c1-3-21-16(20)14-11(2)18-13(15(14)19)10-17-9-12-7-5-4-6-8-12/h4-8,10,17-18H,3,9H2,1-2H3/b13-10+