[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11-8-9-13(10-15(11)19(22)23)17(21)24-12(2)16(20)18-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,20)/t12-/m0/s1