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

Systemtic Name: O4-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester O2-ethyl ester IUPAC Name: 4-O-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester O2-ethyl ester Formula: C19H20ClN3O7 MolecularWeight: 437.831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C19H20ClN3O7/c1-5-29-19(26)16-9(2)15(10(3)21-16)18(25)30-11(4)17(24)22-14-7-6-12(23(27)28)8-13(14)20/h6-8,11,21H,5H2,1-4H3,(H,22,24)