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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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