dimethyl 4-acetamido-5-nitro-benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 4-acetamido-5-nitro-benzene-1,3-dicarboxylate Openeye Name: dimethyl 4-acetamido-5-nitro-benzene-1,3-dicarboxylate CAS Name: 4-acetamido-5-nitrobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-acetamido-5-nitrobenzene-1,3-dicarboxylate Traditional Name: 4-acetamido-5-nitro-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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