dimethyl 5-[[2-azanyl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-azanyl-4-(4-nitrophenyl)-1,3-thiazol-5-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-amino-4-(4-nitrophenyl)thiazole-5-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-amino-4-(4-nitrophenyl)-5-thiazolyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-amino-4-(4-nitrophenyl)thiazole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H16N4O7S MolecularWeight: 456.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(N=C(S2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(N=C(S2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H16N4O7S/c1-30-18(26)11-7-12(19(27)31-2)9-13(8-11)22-17(25)16-15(23-20(21)32-16)10-3-5-14(6-4-10)24(28)29/h3-9H,1-2H3,(H2,21,23)(H,22,25)