(5-ethyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzoate

Systemtic Name: (5-ethyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzoate Openeye Name: (5-ethyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (5-ethyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl) ester IUPAC Name: (5-ethyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (5-ethyl-2-keto-5-nitro-1,3,2$l^{5}-dioxaphosphorinan-2-yl) ester Formula: C12H13N2O9P MolecularWeight: 360.213381

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COP(=O)(OC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1(COP(=O)(OC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N2O9P/c1-2-12(14(18)19)7-21-24(20,22-8-12)23-11(15)9-3-5-10(6-4-9)13(16)17/h3-6H,2,7-8H2,1H3