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

Systemtic Name: O2-ethyl O4-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 2-O-ethyl 4-O-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O7/c1-5-28-19(25)16-10(2)15(11(3)20-16)18(24)29-12(4)17(23)21-13-8-6-7-9-14(13)22(26)27/h6-9,12,20H,5H2,1-4H3,(H,21,23)/t12-/m1/s1