[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,4-bis(oxidanyl)benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,4-bis(oxidanyl)benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3,4-dihydroxybenzoate CAS Name: 3,4-dihydroxybenzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3,4-dihydroxybenzoate Traditional Name: 3,4-dihydroxybenzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C16H11N3O7S MolecularWeight: 389.33944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C16H11N3O7S/c20-11-4-1-8(5-12(11)21)15(23)26-7-14(22)18-16-17-10-3-2-9(19(24)25)6-13(10)27-16/h1-6,20-21H,7H2,(H,17,18,22)