[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-5-8-17-14(19)10-23-15(20)11-6-7-12(16(2,3)4)13(9-11)18(21)22/h1,6-7,9H,8,10H2,2-4H3,(H,17,19)