O1-methyl O3-[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: 1-O-methyl 3-O-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester O1-methyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O7S/c1-12(18(25)23-21-22-17(11-32-21)13-6-4-3-5-7-13)31-20(27)15-8-14(19(26)30-2)9-16(10-15)24(28)29/h3-12H,1-2H3,(H,22,23,25)