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

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C21H23ClN2O7 MolecularWeight: 450.86952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7/c1-12(2)13(3)23-20(25)11-30-21(26)14-5-7-18(19(9-14)29-4)31-17-8-6-15(22)10-16(17)24(27)28/h5-10,12-13H,11H2,1-4H3,(H,23,25)