methyl 2-[2-(4-nitrophenyl)ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-(4-nitrophenyl)ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(4-nitrophenyl)acetyl]amino]thiazole-5-carboxylate CAS Name: 2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-nitrophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(4-nitrophenyl)acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5S/c1-21-12(18)10-7-14-13(22-10)15-11(17)6-8-2-4-9(5-3-8)16(19)20/h2-5,7H,6H2,1H3,(H,14,15,17)