ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxidanylidene-hexyl)-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxidanylidene-hexyl)-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxo-hexyl)-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-(5-keto-6,6-dimethoxy-3,3-dimethyl-2-nitro-hexyl)-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C2=CC=C(C=C2)C)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C2=CC=C(C=C2)C)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H32N2O7/c1-7-33-22(28)17-14-25-18(21(17)16-10-8-15(2)9-11-16)12-20(26(29)30)24(3,4)13-19(27)23(31-5)32-6/h8-11,14,20,23,25H,7,12-13H2,1-6H3