(2-azanyl-2-oxidanylidene-ethyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-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=C1[N+](=O)[O-])C(=O)OCC(=O)N)Cl

Isomeric SMILES

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

InChI

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