[4-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazono]methyl]phenyl] ester Formula: C21H13F3N4O6 MolecularWeight: 474.34633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N4O6/c22-21(23,24)15-6-9-18(19(11-15)28(32)33)26-25-12-13-4-7-17(8-5-13)34-20(29)14-2-1-3-16(10-14)27(30)31/h1-12,26H