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

Systemtic Name: O4-methyl O2-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 4-O-methyl 2-O-[1-(4-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-[2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester O4-methyl ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7/c1-9-14(17(23)27-4)10(2)19-15(9)18(24)28-11(3)16(22)20-12-5-7-13(8-6-12)21(25)26/h5-8,11,19H,1-4H3,(H,20,22)