[2-nitro-6-(2-nitrooxyethylcarbamoyl)phenyl] propanoate

Systemtic Name: [2-nitro-6-(2-nitrooxyethylcarbamoyl)phenyl] propanoate Openeye Name: [2-nitro-6-(2-nitrooxyethylcarbamoyl)phenyl] propanoate CAS Name: propanoic acid [2-nitro-6-[(2-nitrooxyethylamino)-oxomethyl]phenyl] ester IUPAC Name: [2-nitro-6-(2-nitrooxyethylcarbamoyl)phenyl] propanoate Traditional Name: propionic acid [2-nitro-6-(2-nitrooxyethylcarbamoyl)phenyl] ester Formula: C12H13N3O8 MolecularWeight: 327.24692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O8/c1-2-10(16)23-11-8(4-3-5-9(11)14(18)19)12(17)13-6-7-22-15(20)21/h3-5H,2,6-7H2,1H3,(H,13,17)