3,5-diacetamido-4-methyl-2-nitro-benzoate

Systemtic Name: 3,5-diacetamido-4-methyl-2-nitro-benzoate Openeye Name: 3,5-diacetamido-4-methyl-2-nitro-benzoate CAS Name: 3,5-diacetamido-4-methyl-2-nitrobenzoate IUPAC Name: 3,5-diacetamido-4-methyl-2-nitrobenzoate Traditional Name: 3,5-diacetamido-4-methyl-2-nitro-benzoate Formula: C12H12N3O6- MolecularWeight: 294.24018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1NC(=O)C)[N+](=O)[O-])C(=O)[O-])NC(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1NC(=O)C)[N+](=O)[O-])C(=O)[O-])NC(=O)C

InChI

InChI=1S/C12H13N3O6/c1-5-9(13-6(2)16)4-8(12(18)19)11(15(20)21)10(5)14-7(3)17/h4H,1-3H3,(H,13,16)(H,14,17)(H,18,19)/p-1