ethyl 1-methyl-3-[(3E)-3-nitroiminopropyl]-4-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: ethyl 1-methyl-3-[(3E)-3-nitroiminopropyl]-4-oxidanylidene-piperidine-3-carboxylate Openeye Name: ethyl 1-methyl-3-[(3E)-3-nitroiminopropyl]-4-oxo-piperidine-3-carboxylate CAS Name: 1-methyl-3-[(3E)-3-nitroiminopropyl]-4-oxo-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-[(3E)-3-nitroiminopropyl]-4-oxopiperidine-3-carboxylate Traditional Name: 4-keto-1-methyl-3-[(3E)-3-nitroiminopropyl]nipecotic acid ethyl ester Formula: C12H19N3O5 MolecularWeight: 285.29636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CCC1=O)C)CCC=N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(CN(CCC1=O)C)CC/C=N/[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O5/c1-3-20-11(17)12(6-4-7-13-15(18)19)9-14(2)8-5-10(12)16/h7H,3-6,8-9H2,1-2H3/b13-7+