diethyl 4-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrole-2,3-dicarboxylate

Systemtic Name: diethyl 4-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrole-2,3-dicarboxylate Openeye Name: diethyl 1-benzyl-4-[(2-ethoxy-2-oxo-ethyl)amino]-5-oxo-2H-pyrrole-2,3-dicarboxylate CAS Name: 4-[(2-ethoxy-2-oxoethyl)amino]-5-oxo-1-(phenylmethyl)-2H-pyrrole-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-benzyl-4-[(2-ethoxy-2-oxoethyl)amino]-5-oxo-2H-pyrrole-2,3-dicarboxylate Traditional Name: 1-benzyl-4-[(2-ethoxy-2-keto-ethyl)amino]-5-keto-3-pyrroline-2,3-dicarboxylic acid diethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(N(C1=O)CC2=CC=CC=C2)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC1=C(C(N(C1=O)CC2=CC=CC=C2)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H26N2O7/c1-4-28-15(24)12-22-17-16(20(26)29-5-2)18(21(27)30-6-3)23(19(17)25)13-14-10-8-7-9-11-14/h7-11,18,22H,4-6,12-13H2,1-3H3