[3-(4-azanyl-3-nitro-phenyl)carbonyloxy-2-oxidanylidene-propyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [3-(4-azanyl-3-nitro-phenyl)carbonyloxy-2-oxidanylidene-propyl] 4-azanyl-3-nitro-benzoate Openeye Name: [3-(4-amino-3-nitro-benzoyl)oxy-2-oxo-propyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [3-[(4-amino-3-nitrophenyl)-oxomethoxy]-2-oxopropyl] ester IUPAC Name: [3-(4-amino-3-nitrobenzoyl)oxy-2-oxopropyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [3-(4-amino-3-nitro-benzoyl)oxy-2-keto-propyl] ester Formula: C17H14N4O9 MolecularWeight: 418.31446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C17H14N4O9/c18-12-3-1-9(5-14(12)20(25)26)16(23)29-7-11(22)8-30-17(24)10-2-4-13(19)15(6-10)21(27)28/h1-6H,7-8,18-19H2