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

Systemtic Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxidanylidene-hexyl)-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxo-hexyl)-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(5-keto-6,6-dimethoxy-3,3-dimethyl-2-nitro-hexyl)-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H28N2O7 MolecularWeight: 384.42412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C1C)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CNC(=C1C)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H28N2O7/c1-7-27-16(22)12-10-19-13(11(12)2)8-15(20(23)24)18(3,4)9-14(21)17(25-5)26-6/h10,15,17,19H,7-9H2,1-6H3