methyl 4-acetamido-3-acetyloxy-2-nitro-benzoate

Systemtic Name: methyl 4-acetamido-3-acetyloxy-2-nitro-benzoate Openeye Name: methyl 4-acetamido-3-acetoxy-2-nitro-benzoate CAS Name: 4-acetamido-3-acetyloxy-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-acetyloxy-2-nitrobenzoate Traditional Name: 4-acetamido-3-acetoxy-2-nitro-benzoic acid methyl ester Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C12H12N2O7/c1-6(15)13-9-5-4-8(12(17)20-3)10(14(18)19)11(9)21-7(2)16/h4-5H,1-3H3,(H,13,15)