O4-methyl O3-(phenylmethyl) 5-methyl-2-oxidanylidene-1-(phenylcarbamoylamino)-3H-pyrrole-3,4-dicarboxylate

Systemtic Name: O4-methyl O3-(phenylmethyl) 5-methyl-2-oxidanylidene-1-(phenylcarbamoylamino)-3H-pyrrole-3,4-dicarboxylate Openeye Name: O3-benzyl O4-methyl 5-methyl-2-oxo-1-(phenylcarbamoylamino)-3H-pyrrole-3,4-dicarboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-5-methyl-2-oxo-3H-pyrrole-3,4-dicarboxylic acid O4-methyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 4-O-methyl 5-methyl-2-oxo-1-(phenylcarbamoylamino)-3H-pyrrole-3,4-dicarboxylate Traditional Name: 2-keto-5-methyl-1-(phenylcarbamoylamino)-2-pyrroline-3,4-dicarboxylic acid O3-benzyl ester O4-methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1NC(=O)NC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=O)N1NC(=O)NC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O6/c1-14-17(20(27)30-2)18(21(28)31-13-15-9-5-3-6-10-15)19(26)25(14)24-22(29)23-16-11-7-4-8-12-16/h3-12,18H,13H2,1-2H3,(H2,23,24,29)