dimethyl 2-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H19N3O9S MolecularWeight: 465.43386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C19H19N3O9S/c1-30-18(24)12-7-8-15(19(25)31-2)16(9-12)20-17(23)11-21(32(3,28)29)13-5-4-6-14(10-13)22(26)27/h4-10H,11H2,1-3H3,(H,20,23)