O2-[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] O4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(N-(3-amino-3-oxo-propyl)anilino)-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-[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester O4-methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O6/c1-12-17(19(26)28-3)13(2)22-18(12)20(27)29-11-16(25)23(10-9-15(21)24)14-7-5-4-6-8-14/h4-8,22H,9-11H2,1-3H3,(H2,21,24)