(2-azanyl-2-oxidanylidene-ethyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C10H10N2O5 MolecularWeight: 238.1968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O5/c1-6-4-7(2-3-8(6)12(15)16)10(14)17-5-9(11)13/h2-4H,5H2,1H3,(H2,11,13)