4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]butyrate Formula: C11H8N3O5S- MolecularWeight: 294.26332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H9N3O5S/c15-9(3-4-10(16)17)13-11-12-7-2-1-6(14(18)19)5-8(7)20-11/h1-2,5H,3-4H2,(H,16,17)(H,12,13,15)/p-1