ethyl 3-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(tert-butylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(tert-butylamino)-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(tert-butylamino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6/c1-5-25-15(22)11-6-10(7-12(8-11)19(23)24)14(21)17-9-13(20)18-16(2,3)4/h6-8H,5,9H2,1-4H3,(H,17,21)(H,18,20)