O2-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester O4-isopropyl ester Formula: C20H22ClN3O7 MolecularWeight: 451.85758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O7/c1-9(2)30-19(26)16-10(3)17(22-11(16)4)20(27)31-12(5)18(25)23-15-7-6-13(24(28)29)8-14(15)21/h6-9,12,22H,1-5H3,(H,23,25)