[(E)-C-[3-(2,3-dinitrophenyl)carbonyloxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 2,3-dinitrobenzoate

Systemtic Name: [(E)-C-[3-(2,3-dinitrophenyl)carbonyloxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 2,3-dinitrobenzoate Openeye Name: [(E)-C-[3-(2,3-dinitrobenzoyl)oxy-3-oxo-propyl]-N-hydroxy-carbonimidoyl] 2,3-dinitrobenzoate CAS Name: 2,3-dinitrobenzoic acid [(1E)-4-[(2,3-dinitrophenyl)-oxomethoxy]-1-hydroxyimino-4-oxobutyl] ester IUPAC Name: [(E)-C-[3-(2,3-dinitrobenzoyl)oxy-3-oxopropyl]-N-hydroxycarbonimidoyl] 2,3-dinitrobenzoate Traditional Name: 2,3-dinitrobenzoic acid [4-(2,3-dinitrobenzoyl)oxy-4-keto-butanehydroximoyl] ester Formula: C18H11N5O14 MolecularWeight: 521.30504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC(=NO)CCC(=O)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O/C(=N/O)/CCC(=O)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O14/c24-14(37-18(26)10-4-2-6-12(21(30)31)16(10)23(34)35)8-7-13(19-27)36-17(25)9-3-1-5-11(20(28)29)15(9)22(32)33/h1-6,27H,7-8H2/b19-13+