ethyl 2-nitro-3-(nitromethyl)hept-4-ynoate

Systemtic Name: ethyl 2-nitro-3-(nitromethyl)hept-4-ynoate Openeye Name: ethyl 2-nitro-3-(nitromethyl)hept-4-ynoate CAS Name: 2-nitro-3-(nitromethyl)-4-heptynoic acid ethyl ester IUPAC Name: ethyl 2-nitro-3-(nitromethyl)hept-4-ynoate Traditional Name: 2-nitro-3-(nitromethyl)hept-4-ynoic acid ethyl ester Formula: C10H14N2O6 MolecularWeight: 258.22796

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(C[N+](=O)[O-])C(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC#CC(C[N+](=O)[O-])C(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O6/c1-3-5-6-8(7-11(14)15)9(12(16)17)10(13)18-4-2/h8-9H,3-4,7H2,1-2H3