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

Systemtic Name: 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(4-nitrophenyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(4-nitrophenyl)-2-thiazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(4-nitrophenyl)thiazol-2-yl]amino]butyrate Formula: C13H10N3O5S- MolecularWeight: 320.3006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5S/c17-11(5-6-12(18)19)15-13-14-10(7-22-13)8-1-3-9(4-2-8)16(20)21/h1-4,7H,5-6H2,(H,18,19)(H,14,15,17)/p-1