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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC(=O)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)OCC(=O)N

InChI

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