4-acetamido-6-nitro-benzene-1,3-dicarboxylate

Systemtic Name: 4-acetamido-6-nitro-benzene-1,3-dicarboxylate Openeye Name: 4-acetamido-6-nitro-benzene-1,3-dicarboxylate CAS Name: 4-acetamido-6-nitrobenzene-1,3-dicarboxylate IUPAC Name: 4-acetamido-6-nitrobenzene-1,3-dicarboxylate Traditional Name: 4-acetamido-6-nitro-isophthalate Formula: C10H6N2O7-2 MolecularWeight: 266.16384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O7/c1-4(13)11-7-3-8(12(18)19)6(10(16)17)2-5(7)9(14)15/h2-3H,1H3,(H,11,13)(H,14,15)(H,16,17)/p-2