[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O[C@@H](C)C(=O)NCC=C

InChI

InChI=1S/C14H16N2O5/c1-4-8-15-13(17)10(3)21-14(18)12-9(2)6-5-7-11(12)16(19)20/h4-7,10H,1,8H2,2-3H3,(H,15,17)/t10-/m0/s1