[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H10N4O5S MolecularWeight: 382.3501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)SC=N2

InChI

InChI=1S/C17H10N4O5S/c18-7-11-5-12(21(24)25)2-4-13(11)20-16(22)8-26-17(23)10-1-3-14-15(6-10)27-9-19-14/h1-6,9H,8H2,(H,20,22)