(phenylmethyl) 4-(2,4-dinitrophenyl)-6-methyl-5-oxidanylidene-3,6-dihydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2,4-dinitrophenyl)-6-methyl-5-oxidanylidene-3,6-dihydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Openeye Name: benzyl 4-(2,4-dinitrophenyl)-6-methyl-5-oxo-3,6-dihydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate CAS Name: 4-(2,4-dinitrophenyl)-6-methyl-5-oxo-3,6-dihydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,4-dinitrophenyl)-6-methyl-5-oxo-3,6-dihydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Traditional Name: 4-(2,4-dinitrophenyl)-5-keto-6-methyl-3,6-dihydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1C2=C(CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c1-13-19-17(9-10-22(19)21(27)32-12-14-5-3-2-4-6-14)23(20(13)26)16-8-7-15(24(28)29)11-18(16)25(30)31/h2-8,11,13H,9-10,12H2,1H3