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

Systemtic Name: [3-[4-(methylamino)-3-nitro-phenyl]carbonyloxy-2-oxidanylidene-propyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [3-[4-(methylamino)-3-nitro-benzoyl]oxy-2-oxo-propyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [3-[[4-(methylamino)-3-nitrophenyl]-oxomethoxy]-2-oxopropyl] ester IUPAC Name: [3-[4-(methylamino)-3-nitrobenzoyl]oxy-2-oxopropyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-3-[4-(methylamino)-3-nitro-benzoyl]oxy-propyl] ester Formula: C19H18N4O9 MolecularWeight: 446.36762

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O9/c1-20-14-5-3-11(7-16(14)22(27)28)18(25)31-9-13(24)10-32-19(26)12-4-6-15(21-2)17(8-12)23(29)30/h3-8,20-21H,9-10H2,1-2H3