(2-azanyl-2-oxidanylidene-ethyl) 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid (2-amino-2-keto-ethyl) ester Formula: C11H10ClN3O6 MolecularWeight: 315.6666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClN3O6/c12-7-2-1-6(3-8(7)15(19)20)11(18)14-4-10(17)21-5-9(13)16/h1-3H,4-5H2,(H2,13,16)(H,14,18)