cyanomethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: cyanomethyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: cyanomethyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid cyanomethyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c1-8-6-9(2-3-10(8)15(18)19)12(17)14-7-11(16)20-5-4-13/h2-3,6H,5,7H2,1H3,(H,14,17)