methyl 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(3-nitrophenyl)thiazol-2-yl]amino]butyric acid methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-22-13(19)6-5-12(18)16-14-15-11(8-23-14)9-3-2-4-10(7-9)17(20)21/h2-4,7-8H,5-6H2,1H3,(H,15,16,18)