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

Systemtic Name: methyl 5-acetamido-4-tert-butyl-2-nitro-benzoate Openeye Name: methyl 5-acetamido-4-tert-butyl-2-nitro-benzoate CAS Name: 5-acetamido-4-tert-butyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-acetamido-4-tert-butyl-2-nitrobenzoate Traditional Name: 5-acetamido-4-tert-butyl-2-nitro-benzoic acid methyl ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-8(17)15-11-6-9(13(18)21-5)12(16(19)20)7-10(11)14(2,3)4/h6-7H,1-5H3,(H,15,17)