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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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