(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H15ClN2O6 MolecularWeight: 426.8066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O6/c22-15-8-11-18(17(12-15)24(27)28)29-16-9-6-14(7-10-16)21(26)30-19(20(23)25)13-4-2-1-3-5-13/h1-12,19H,(H2,23,25)