[2-ethyl-4-(phenylcarbonyl)azetidin-1-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-ethyl-4-(phenylcarbonyl)azetidin-1-yl] 3,5-dinitrobenzoate Openeye Name: (2-benzoyl-4-ethyl-azetidin-1-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-benzoyl-4-ethyl-1-azetidinyl) ester IUPAC Name: (2-benzoyl-4-ethylazetidin-1-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-benzoyl-4-ethyl-azetidin-1-yl) ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(N1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1CC(N1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O7/c1-2-14-11-17(18(23)12-6-4-3-5-7-12)20(14)29-19(24)13-8-15(21(25)26)10-16(9-13)22(27)28/h3-10,14,17H,2,11H2,1H3