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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

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