methyl 5-acetamido-4-methyl-2-nitro-benzoate

Systemtic Name: methyl 5-acetamido-4-methyl-2-nitro-benzoate Openeye Name: methyl 5-acetamido-4-methyl-2-nitro-benzoate CAS Name: 5-acetamido-4-methyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-acetamido-4-methyl-2-nitrobenzoate Traditional Name: 5-acetamido-4-methyl-2-nitro-benzoic acid methyl ester Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)NC(=O)C

InChI

InChI=1S/C11H12N2O5/c1-6-4-10(13(16)17)8(11(15)18-3)5-9(6)12-7(2)14/h4-5H,1-3H3,(H,12,14)