[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C24H21ClN2O7 MolecularWeight: 484.88574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C24H21ClN2O7/c1-14-5-4-6-15(2)23(14)26-22(28)13-33-24(29)16-7-9-20(21(11-16)32-3)34-19-10-8-17(25)12-18(19)27(30)31/h4-12H,13H2,1-3H3,(H,26,28)