ethyl 3-azanylidenebutanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: ethyl 3-azanylidenebutanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: ethyl 3-iminobutanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 3-iminobutanoic acid ethyl ester; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: ethyl 3-iminobutanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 3-iminobutyric acid ethyl ester; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=N)C.C1=CC(=C2C=C1N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(=N)C.C1=CC(=C2C=C1N2)[N+](=O)[O-]

InChI

InChI=1S/C6H4N2O2.C6H11NO2/c9-8(10)6-2-1-4-3-5(6)7-4;1-3-9-6(8)4-5(2)7/h1-3,7H;7H,3-4H2,1-2H3