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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C9H7ClN2O5 MolecularWeight: 258.61528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H7ClN2O5/c10-6-2-1-5(3-7(6)12(15)16)9(14)17-4-8(11)13/h1-3H,4H2,(H2,11,13)