[5-(3-cyano-2-methyl-propanoyl)-2-nitro-phenyl] ethanoate

Systemtic Name: [5-(3-cyano-2-methyl-propanoyl)-2-nitro-phenyl] ethanoate Openeye Name: [5-(3-cyano-2-methyl-propanoyl)-2-nitro-phenyl] acetate CAS Name: acetic acid [5-(3-cyano-2-methyl-1-oxopropyl)-2-nitrophenyl] ester IUPAC Name: [5-(3-cyano-2-methylpropanoyl)-2-nitrophenyl] acetate Traditional Name: acetic acid [5-(3-cyano-2-methyl-propanoyl)-2-nitro-phenyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(CC#N)C(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C13H12N2O5/c1-8(5-6-14)13(17)10-3-4-11(15(18)19)12(7-10)20-9(2)16/h3-4,7-8H,5H2,1-2H3