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

Systemtic Name: O2-[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester O4-methyl ester IUPAC Name: 2-O-[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester O4-methyl ester Formula: C19H21N3O8 MolecularWeight: 419.38534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O8/c1-9-15(18(24)29-5)10(2)20-16(9)19(25)30-11(3)17(23)21-13-8-12(22(26)27)6-7-14(13)28-4/h6-8,11,20H,1-5H3,(H,21,23)/t11-/m0/s1