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

Systemtic Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxidanylidene-hexyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxo-hexyl)-1H-pyrrole-3-carboxylate CAS Name: 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(6,6-dimethoxy-3,3-dimethyl-2-nitro-5-oxohexyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-(5-keto-6,6-dimethoxy-3,3-dimethyl-2-nitro-hexyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H26N2O7 MolecularWeight: 370.39754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O7/c1-6-26-15(21)11-7-12(18-10-11)8-14(19(22)23)17(2,3)9-13(20)16(24-4)25-5/h7,10,14,16,18H,6,8-9H2,1-5H3