methyl 4-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(tert-butylcarbamoylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(tert-butylcarbamoylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(tert-butylcarbamoylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C15H19N3O7 MolecularWeight: 353.32726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O7/c1-15(2,3)17-14(21)16-12(19)8-25-11-6-5-9(13(20)24-4)7-10(11)18(22)23/h5-7H,8H2,1-4H3,(H2,16,17,19,21)