[2-(methylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CNC(=O)COC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H15ClN2O7/c1-19-16(21)9-26-17(22)10-3-5-14(15(7-10)25-2)27-13-6-4-11(18)8-12(13)20(23)24/h3-8H,9H2,1-2H3,(H,19,21)