(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H17ClN2O7 MolecularWeight: 456.83258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O7/c1-30-19-11-14(22(27)32-20(21(24)26)13-5-3-2-4-6-13)7-9-18(19)31-17-10-8-15(23)12-16(17)25(28)29/h2-12,20H,1H3,(H2,24,26)