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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-6-3-4-8(5-9(6)13(16)17)11(15)18-7(2)10(12)14/h3-5,7H,1-2H3,(H2,12,14)/t7-/m0/s1