(2-oxidanylidene-2-phenylazanyl-ethyl) 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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