4-[2-[(2-chloranyl-4-nitro-phenyl)amino]-5-methyl-pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[(2-chloranyl-4-nitro-phenyl)amino]-5-methyl-pyrimidin-4-yl]-N-(2-oxidanyl-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-(2-chloro-4-nitro-anilino)-5-methyl-pyrimidin-4-yl]-N-(2-hydroxy-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[2-(2-chloro-4-nitroanilino)-5-methyl-4-pyrimidinyl]-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-(2-chloro-4-nitroanilino)-5-methylpyrimidin-4-yl]-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-(2-chloro-4-nitro-anilino)-5-methyl-pyrimidin-4-yl]-N-(2-hydroxy-1-phenyl-ethyl)-1H-pyrrole-2-carboxamide Formula: C24H21ClN6O4 MolecularWeight: 492.91434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H21ClN6O4/c1-14-11-27-24(29-19-8-7-17(31(34)35)10-18(19)25)30-22(14)16-9-20(26-12-16)23(33)28-21(13-32)15-5-3-2-4-6-15/h2-12,21,26,32H,13H2,1H3,(H,28,33)(H,27,29,30)